N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine

C20H25N — CID 43724281

IUPACN-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H25N/c1-3-16-9-11-17(12-10-16)15(2)21-20(19-13-14-19)18-7-5-4-6-8-18/h4-12,15,19-21H,3,13-14H2,1-2H3
InChIKeyBRAAAOBXSXFGJV-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.05
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine

N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 43724281) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
PubChem CID43724281
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H25N/c1-3-16-9-11-17(12-10-16)15(2)21-20(19-13-14-19)18-7-5-4-6-8-18/h4-12,15,19-21H,3,13-14H2,1-2H3
InChIKeyBRAAAOBXSXFGJV-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 25431954
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
CID 62091573
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine (CID 43724281) is N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is BRAAAOBXSXFGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-16-9-11-17(12-10-16)15(2)21-20(19-13-14-19)18-7-5-4-6-8-18/h4-12,15,19-21H,3,13-14H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine?
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 5.05, 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-ethylphenyl)ethanamine is sourced from PubChem (CID 43724281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).