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

C20H25N — CID 81369233

IUPAC3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(N[C@H](C)c3cccc(C)c3)C2)c1
InChIInChI=1S/C20H25N/c1-14-6-4-8-17(10-14)16(3)21-20-12-19(13-20)18-9-5-7-15(2)11-18/h4-11,16,19-21H,12-13H2,1-3H3/t16-,19?,20?/m1/s1
InChIKeyFGLWPXBMWPCLEE-PBPGXSGUSA-N
MW279.43 g/mol
LogP4.90
Rot. Bonds4

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

3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 81369233) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID81369233
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCc1cccc(C2CC(N[C@H](C)c3cccc(C)c3)C2)c1
InChIInChI=1S/C20H25N/c1-14-6-4-8-17(10-14)16(3)21-20-12-19(13-20)18-9-5-7-15(2)11-18/h4-11,16,19-21H,12-13H2,1-3H3/t16-,19?,20?/m1/s1
InChIKeyFGLWPXBMWPCLEE-PBPGXSGUSA-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

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Related Compounds

3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81367093
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 79231071
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine (CID 81369233) is 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine is Cc1cccc(C2CC(N[C@H](C)c3cccc(C)c3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is FGLWPXBMWPCLEE-PBPGXSGUSA-N. The full InChI is InChI=1S/C20H25N/c1-14-6-4-8-17(10-14)16(3)21-20-12-19(13-20)18-9-5-7-15(2)11-18/h4-11,16,19-21H,12-13H2,1-3H3/t16-,19?,20?/m1/s1.
What are the key properties of 3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine?
3-(3-methylphenyl)-N-[(1R)-1-(3-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-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 81369233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).