N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine

C20H25N — CID 79969399

IUPACN-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1cccc(C2CC2)c1)c1ccccc1
InChIInChI=1S/C20H25N/c1-15(2)20(18-8-4-3-5-9-18)21-14-16-7-6-10-19(13-16)17-11-12-17/h3-10,13,15,17,20-21H,11-12,14H2,1-2H3
InChIKeyBZZOSKYWDILKFA-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.05
Rot. Bonds6

About N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 79969399) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID79969399
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1cccc(C2CC2)c1)c1ccccc1
InChIInChI=1S/C20H25N/c1-15(2)20(18-8-4-3-5-9-18)21-14-16-7-6-10-19(13-16)17-11-12-17/h3-10,13,15,17,20-21H,11-12,14H2,1-2H3
InChIKeyBZZOSKYWDILKFA-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

N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79979302
(1R)-1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81354119
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 51924253
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43225746
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090
2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 43225616

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 79969399) is N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCc1cccc(C2CC2)c1)c1ccccc1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is BZZOSKYWDILKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15(2)20(18-8-4-3-5-9-18)21-14-16-7-6-10-19(13-16)17-11-12-17/h3-10,13,15,17,20-21H,11-12,14H2,1-2H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine 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-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 79969399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).