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

C17H27ClN2 — CID 104721732

IUPAC1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-3-14-5-4-9-17(12-19,10-8-14)20-15-7-6-13(2)16(18)11-15/h6-7,11,14,20H,3-5,8-10,12,19H2,1-2H3
InChIKeyHGGLCFJJSXBHHG-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.75
Rot. Bonds4

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

1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine (PubChem CID 104721732) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
PubChem CID104721732
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-3-14-5-4-9-17(12-19,10-8-14)20-15-7-6-13(2)16(18)11-15/h6-7,11,14,20H,3-5,8-10,12,19H2,1-2H3
InChIKeyHGGLCFJJSXBHHG-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.75
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)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
CID 104721710
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
CID 104721739
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
3-(aminomethyl)-N-(3-chloro-4-methylphenyl)thiolan-3-amine
CID 104721792
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine
CID 107559775
N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline
CID 65378135
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine (CID 104721732) is 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine is CCC1CCCC(CN)(Nc2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine?
The InChIKey is HGGLCFJJSXBHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-14-5-4-9-17(12-19,10-8-14)20-15-7-6-13(2)16(18)11-15/h6-7,11,14,20H,3-5,8-10,12,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine?
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.75, 4 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)-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 104721732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).