1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine

C16H25ClN2 — CID 104721790

IUPAC1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
SMILESCc1ccc(NC2(CN)CCCCCCC2)cc1Cl
InChIInChI=1S/C16H25ClN2/c1-13-7-8-14(11-15(13)17)19-16(12-18)9-5-3-2-4-6-10-16/h7-8,11,19H,2-6,9-10,12,18H2,1H3
InChIKeyQCSGITPCCBERSA-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.50
Rot. Bonds3

About 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine

1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine (PubChem CID 104721790) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
PubChem CID104721790
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
SMILESCc1ccc(NC2(CN)CCCCCCC2)cc1Cl
InChIInChI=1S/C16H25ClN2/c1-13-7-8-14(11-15(13)17)19-16(12-18)9-5-3-2-4-6-10-16/h7-8,11,19H,2-6,9-10,12,18H2,1H3
InChIKeyQCSGITPCCBERSA-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
CID 104721710
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
3-(aminomethyl)-N-(3-chloro-4-methylphenyl)thiolan-3-amine
CID 104721792
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
1-(aminomethyl)-N-(4-chlorophenyl)cyclooctan-1-amine
CID 65382773
7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
CID 104721739
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240524
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine (CID 104721790) is 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine is Cc1ccc(NC2(CN)CCCCCCC2)cc1Cl.
What is the InChIKey of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine?
The InChIKey is QCSGITPCCBERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13-7-8-14(11-15(13)17)19-16(12-18)9-5-3-2-4-6-10-16/h7-8,11,19H,2-6,9-10,12,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine?
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine is sourced from PubChem (CID 104721790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).