N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline

C16H25ClN2 — CID 104721710

IUPACN-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
SMILESCc1ccc(NC2(CN)CCC(C)(C)CC2)cc1Cl
InChIInChI=1S/C16H25ClN2/c1-12-4-5-13(10-14(12)17)19-16(11-18)8-6-15(2,3)7-9-16/h4-5,10,19H,6-9,11,18H2,1-3H3
InChIKeyDUOLQFIVYZGNCU-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.36
Rot. Bonds3

About N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline

N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline (PubChem CID 104721710) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
PubChem CID104721710
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
SMILESCc1ccc(NC2(CN)CCC(C)(C)CC2)cc1Cl
InChIInChI=1S/C16H25ClN2/c1-12-4-5-13(10-14(12)17)19-16(11-18)8-6-15(2,3)7-9-16/h4-5,10,19H,6-9,11,18H2,1-3H3
InChIKeyDUOLQFIVYZGNCU-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
CID 104721790
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
3-(aminomethyl)-N-(3-chloro-4-methylphenyl)thiolan-3-amine
CID 104721792
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
CID 104721739
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65385792
3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80692538
3-(aminomethyl)-N-(4-chlorophenyl)-5,5-dimethylthian-3-amine
CID 79958846
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)thiolan-3-amine
CID 107619641

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline (CID 104721710) is N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline is Cc1ccc(NC2(CN)CCC(C)(C)CC2)cc1Cl.
What is the InChIKey of N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline?
The InChIKey is DUOLQFIVYZGNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12-4-5-13(10-14(12)17)19-16(11-18)8-6-15(2,3)7-9-16/h4-5,10,19H,6-9,11,18H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline?
N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline has a molecular weight of 280.84 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline is sourced from PubChem (CID 104721710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).