[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine

C21H29ClN2S — CID 142934245

IUPAC[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESCc1cc(CN(Cc2cccs2)CC2CCC(CN)CC2)ccc1Cl
InChIInChI=1S/C21H29ClN2S/c1-16-11-19(8-9-21(16)22)14-24(15-20-3-2-10-25-20)13-18-6-4-17(12-23)5-7-18/h2-3,8-11,17-18H,4-7,12-15,23H2,1H3
InChIKeyWWFPHCRPWYYTEN-UHFFFAOYSA-N
MW377.00 g/mol
LogP5.48
Rot. Bonds7

About [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine

[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine (PubChem CID 142934245) has the molecular formula C21H29ClN2S and a molecular weight of 377.00 g/mol. Its IUPAC name is [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
PubChem CID142934245
Molecular FormulaC21H29ClN2S
Molecular Weight377.00 g/mol
Exact Mass376.17
IUPAC Name[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
SMILESCc1cc(CN(Cc2cccs2)CC2CCC(CN)CC2)ccc1Cl
InChIInChI=1S/C21H29ClN2S/c1-16-11-19(8-9-21(16)22)14-24(15-20-3-2-10-25-20)13-18-6-4-17(12-23)5-7-18/h2-3,8-11,17-18H,4-7,12-15,23H2,1H3
InChIKeyWWFPHCRPWYYTEN-UHFFFAOYSA-N
XLogP5.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.00
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 142934394
[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-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 10459391
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]methyl-(9H-fluoren-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934435
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 62421915

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine (CID 142934245) is [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine is Cc1cc(CN(Cc2cccs2)CC2CCC(CN)CC2)ccc1Cl.
What is the InChIKey of [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
The InChIKey is WWFPHCRPWYYTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2S/c1-16-11-19(8-9-21(16)22)14-24(15-20-3-2-10-25-20)13-18-6-4-17(12-23)5-7-18/h2-3,8-11,17-18H,4-7,12-15,23H2,1H3.
What are the key properties of [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine?
[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine has a molecular weight of 377.00 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).