1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine

C14H18ClN — CID 23292607

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine
SMILESCN(C1CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H18ClN/c1-16(13-7-8-13)14(9-2-10-14)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyOPVBMBRMIJGYNH-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine

1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine (PubChem CID 23292607) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine
PubChem CID23292607
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine
SMILESCN(C1CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H18ClN/c1-16(13-7-8-13)14(9-2-10-14)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyOPVBMBRMIJGYNH-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine
CID 70506292
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride
CID 21270221
1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride
CID 21270241
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine
CID 23292614
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine;hydrochloride
CID 23292613
1-(4-chlorophenyl)-1-N,1-N,4-N-trimethyl-4-N-prop-2-enylcyclohexane-1,4-diamine
CID 15586322
1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride
CID 165361754
1-(4-chlorophenyl)-4-N-ethyl-4-N-methyl-1-N,1-N-dipropylcyclohexane-1,4-diamine
CID 54164676
tert-butyl N-[1-(4-chlorophenyl)cyclobutyl]-N-methylcarbamate
CID 91308995
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine (CID 23292607) is 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine is CN(C1CC1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine?
The InChIKey is OPVBMBRMIJGYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-16(13-7-8-13)14(9-2-10-14)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine?
1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine has a molecular weight of 235.76 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine is sourced from PubChem (CID 23292607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).