N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine

C20H25N — CID 43724319

IUPACN-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(c1ccccc1)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C20H25N/c1-3-19(16-11-9-15(2)10-12-16)21-20(18-13-14-18)17-7-5-4-6-8-17/h4-12,18-21H,3,13-14H2,1-2H3
InChIKeyZBFYODRUGPZVCF-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.19
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine

N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 43724319) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID43724319
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(c1ccccc1)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C20H25N/c1-3-19(16-11-9-15(2)10-12-16)21-20(18-13-14-18)17-7-5-4-6-8-17/h4-12,18-21H,3,13-14H2,1-2H3
InChIKeyZBFYODRUGPZVCF-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
N-[cyclopropyl-(4-methylphenyl)methyl]pent-1-yn-3-amine
CID 114160632
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol
CID 107862205
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine (CID 43724319) is N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine is CCC(NC(c1ccccc1)C1CC1)c1ccc(C)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is ZBFYODRUGPZVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-19(16-11-9-15(2)10-12-16)21-20(18-13-14-18)17-7-5-4-6-8-17/h4-12,18-21H,3,13-14H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine?
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 43724319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).