3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine

C19H23N — CID 81350272

IUPAC3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(N[C@@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C19H23N/c1-14-7-6-10-17(11-14)18-12-19(13-18)20-15(2)16-8-4-3-5-9-16/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18?,19?/m0/s1
InChIKeyOKHOHSZWEKLTTD-MNNVXMFVSA-N
MW265.40 g/mol
LogP4.59
Rot. Bonds4

About 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine

3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine (PubChem CID 81350272) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
PubChem CID81350272
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(N[C@@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C19H23N/c1-14-7-6-10-17(11-14)18-12-19(13-18)20-15(2)16-8-4-3-5-9-16/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18?,19?/m0/s1
InChIKeyOKHOHSZWEKLTTD-MNNVXMFVSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine (CID 81350272) is 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine is Cc1cccc(C2CC(N[C@@H](C)c3ccccc3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
The InChIKey is OKHOHSZWEKLTTD-MNNVXMFVSA-N. The full InChI is InChI=1S/C19H23N/c1-14-7-6-10-17(11-14)18-12-19(13-18)20-15(2)16-8-4-3-5-9-16/h3-11,15,18-20H,12-13H2,1-2H3/t15-,18?,19?/m0/s1.
What are the key properties of 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine is sourced from PubChem (CID 81350272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).