[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine

C30H32ClF3N2 — CID 142934435

IUPAC[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc3c(c2)Cc2ccccc2-3)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C30H32ClF3N2/c31-29-12-10-23(14-28(29)30(32,33)34)19-36(17-21-7-5-20(16-35)6-8-21)18-22-9-11-27-25(13-22)15-24-3-1-2-4-26(24)27/h1-4,9-14,20-21H,5-8,15-19,35H2
InChIKeyIMYLBOSKXYAZRJ-UHFFFAOYSA-N
MW513.05 g/mol
LogP7.70
Rot. Bonds7

About [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine

[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine (PubChem CID 142934435) has the molecular formula C30H32ClF3N2 and a molecular weight of 513.05 g/mol. Its IUPAC name is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
PubChem CID142934435
Molecular FormulaC30H32ClF3N2
Molecular Weight513.05 g/mol
Exact Mass512.22
IUPAC Name[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccc3c(c2)Cc2ccccc2-3)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C30H32ClF3N2/c31-29-12-10-23(14-28(29)30(32,33)34)19-36(17-21-7-5-20(16-35)6-8-21)18-22-9-11-27-25(13-22)15-24-3-1-2-4-26(24)27/h1-4,9-14,20-21H,5-8,15-19,35H2
InChIKeyIMYLBOSKXYAZRJ-UHFFFAOYSA-N
XLogP7.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.05
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934245
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 142934394
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
[4-[[(3,4-dichlorophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2-difluoropropanal;ethane
CID 142934334
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 142934260
[4-[[1-benzofuran-2-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2,2-trifluoroacetic acid
CID 142934534

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine (CID 142934435) is [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccc3c(c2)Cc2ccccc2-3)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The InChIKey is IMYLBOSKXYAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClF3N2/c31-29-12-10-23(14-28(29)30(32,33)34)19-36(17-21-7-5-20(16-35)6-8-21)18-22-9-11-27-25(13-22)15-24-3-1-2-4-26(24)27/h1-4,9-14,20-21H,5-8,15-19,35H2.
What are the key properties of [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine has a molecular weight of 513.05 g/mol, XLogP of 7.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).