[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine

C21H28ClN3 — CID 23795070

IUPAC[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccncc2)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H28ClN3/c22-21-7-5-19(6-8-21)15-25(16-20-9-11-24-12-10-20)14-18-3-1-17(13-23)2-4-18/h5-12,17-18H,1-4,13-16,23H2
InChIKeyBKLMJWZQLKKJLB-UHFFFAOYSA-N
MW357.93 g/mol
LogP4.50
Rot. Bonds7

About [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine

[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine (PubChem CID 23795070) has the molecular formula C21H28ClN3 and a molecular weight of 357.93 g/mol. Its IUPAC name is [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
PubChem CID23795070
Molecular FormulaC21H28ClN3
Molecular Weight357.93 g/mol
Exact Mass357.20
IUPAC Name[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CN(Cc2ccncc2)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H28ClN3/c22-21-7-5-19(6-8-21)15-25(16-20-9-11-24-12-10-20)14-18-3-1-17(13-23)2-4-18/h5-12,17-18H,1-4,13-16,23H2
InChIKeyBKLMJWZQLKKJLB-UHFFFAOYSA-N
XLogP4.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934351
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine
CID 10432992
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine
CID 142934352
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine (CID 23795070) is [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine is NCC1CCC(CN(Cc2ccncc2)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The InChIKey is BKLMJWZQLKKJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3/c22-21-7-5-19(6-8-21)15-25(16-20-9-11-24-12-10-20)14-18-3-1-17(13-23)2-4-18/h5-12,17-18H,1-4,13-16,23H2.
What are the key properties of [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine?
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine has a molecular weight of 357.93 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 23795070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).