3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine

C19H22ClN — CID 63449056

IUPAC3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)NC2CC(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C19H22ClN/c1-13-6-8-15(9-7-13)14(2)21-19-11-17(12-19)16-4-3-5-18(20)10-16/h3-10,14,17,19,21H,11-12H2,1-2H3
InChIKeyDWVDQECQBOQWPV-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.25
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine

3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 63449056) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID63449056
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)NC2CC(c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C19H22ClN/c1-13-6-8-15(9-7-13)14(2)21-19-11-17(12-19)16-4-3-5-18(20)10-16/h3-10,14,17,19,21H,11-12H2,1-2H3
InChIKeyDWVDQECQBOQWPV-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81402505
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81367093
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine (CID 63449056) is 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine is Cc1ccc(C(C)NC2CC(c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is DWVDQECQBOQWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-6-8-15(9-7-13)14(2)21-19-11-17(12-19)16-4-3-5-18(20)10-16/h3-10,14,17,19,21H,11-12H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine?
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 299.85 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 63449056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).