3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine

C20H25N — CID 81363104

IUPAC3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(N[C@@H](C)c3ccccc3C)C2)cc1
InChIInChI=1S/C20H25N/c1-14-8-10-17(11-9-14)18-12-19(13-18)21-16(3)20-7-5-4-6-15(20)2/h4-11,16,18-19,21H,12-13H2,1-3H3/t16-,18?,19?/m0/s1
InChIKeyUKCQKYNERILMPH-IVMQYODDSA-N
MW279.43 g/mol
LogP4.90
Rot. Bonds4

About 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine

3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 81363104) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID81363104
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(N[C@@H](C)c3ccccc3C)C2)cc1
InChIInChI=1S/C20H25N/c1-14-8-10-17(11-9-14)18-12-19(13-18)21-16(3)20-7-5-4-6-15(20)2/h4-11,16,18-19,21H,12-13H2,1-3H3/t16-,18?,19?/m0/s1
InChIKeyUKCQKYNERILMPH-IVMQYODDSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81355085
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine (CID 81363104) is 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine is Cc1ccc(C2CC(N[C@@H](C)c3ccccc3C)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is UKCQKYNERILMPH-IVMQYODDSA-N. The full InChI is InChI=1S/C20H25N/c1-14-8-10-17(11-9-14)18-12-19(13-18)21-16(3)20-7-5-4-6-15(20)2/h4-11,16,18-19,21H,12-13H2,1-3H3/t16-,18?,19?/m0/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 81363104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).