3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine

C19H22ClN — CID 79756518

IUPAC3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccccc1CCNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClN/c1-14-5-2-3-6-15(14)9-10-21-19-12-17(13-19)16-7-4-8-18(20)11-16/h2-8,11,17,19,21H,9-10,12-13H2,1H3
InChIKeyJGHQYWYHTJPSPZ-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.73
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine

3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 79756518) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID79756518
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccccc1CCNC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClN/c1-14-5-2-3-6-15(14)9-10-21-19-12-17(13-19)16-7-4-8-18(20)11-16/h2-8,11,17,19,21H,9-10,12-13H2,1H3
InChIKeyJGHQYWYHTJPSPZ-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine (CID 79756518) is 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine is Cc1ccccc1CCNC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is JGHQYWYHTJPSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-14-5-2-3-6-15(14)9-10-21-19-12-17(13-19)16-7-4-8-18(20)11-16/h2-8,11,17,19,21H,9-10,12-13H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine?
3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 299.85 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79756518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).