1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine

C18H29ClN2 — CID 65085040

IUPAC1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine
SMILESCC1CCCC(CN)(N(C)C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H29ClN2/c1-14-7-6-11-18(13-20,12-10-14)21(3)15(2)16-8-4-5-9-17(16)19/h4-5,8-9,14-15H,6-7,10-13,20H2,1-3H3
InChIKeyNRAVIHHPFVPBMX-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.63
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine (PubChem CID 65085040) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine
PubChem CID65085040
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine
SMILESCC1CCCC(CN)(N(C)C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C18H29ClN2/c1-14-7-6-11-18(13-20,12-10-14)21(3)15(2)16-8-4-5-9-17(16)19/h4-5,8-9,14-15H,6-7,10-13,20H2,1-3H3
InChIKeyNRAVIHHPFVPBMX-UHFFFAOYSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 63465615
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
CID 62980197
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82718464
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872470
1-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64744864
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylcyclobutan-1-amine
CID 79520737
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylthian-3-amine
CID 62978435

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine (CID 65085040) is 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine is CC1CCCC(CN)(N(C)C(C)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine?
The InChIKey is NRAVIHHPFVPBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-14-7-6-11-18(13-20,12-10-14)21(3)15(2)16-8-4-5-9-17(16)19/h4-5,8-9,14-15H,6-7,10-13,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65085040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).