1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine

C12H16ClN — CID 21365272

IUPAC1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN/c1-14(2)9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyGYYNRDBKBAQIFA-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.93
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine

1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine (PubChem CID 21365272) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
PubChem CID21365272
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClN/c1-14(2)9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyGYYNRDBKBAQIFA-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 68890451
N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine
CID 89111935
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine
CID 23292614
3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 135362119
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine;hydrochloride
CID 23292613
1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N,N-dimethylmethanamine
CID 69329467
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine (CID 21365272) is 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is GYYNRDBKBAQIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-14(2)9-12(7-8-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine?
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 209.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 21365272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).