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

C17H27ClN2 — CID 79856564

IUPAC1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCC(c1ccc(Cl)cc1)N(C)C1(CN)CCCC1(C)C
InChIInChI=1S/C17H27ClN2/c1-13(14-6-8-15(18)9-7-14)20(4)17(12-19)11-5-10-16(17,2)3/h6-9,13H,5,10-12,19H2,1-4H3
InChIKeyQHSDGVJJJMQKKL-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.24
Rot. Bonds4

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

1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79856564) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79856564
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCC(c1ccc(Cl)cc1)N(C)C1(CN)CCCC1(C)C
InChIInChI=1S/C17H27ClN2/c1-13(14-6-8-15(18)9-7-14)20(4)17(12-19)11-5-10-16(17,2)3/h6-9,13H,5,10-12,19H2,1-4H3
InChIKeyQHSDGVJJJMQKKL-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.24
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
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
CID 62977913
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 81170816
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylcyclobutan-1-amine
CID 79520737
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104595035
1-(aminomethyl)-2,2-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 79857560
[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912658
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline
CID 79847909
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120773223
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine (CID 79856564) is 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine is CC(c1ccc(Cl)cc1)N(C)C1(CN)CCCC1(C)C.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is QHSDGVJJJMQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(14-6-8-15(18)9-7-14)20(4)17(12-19)11-5-10-16(17,2)3/h6-9,13H,5,10-12,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine?
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.24, 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-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79856564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).