N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine

C18H23N — CID 43097751

IUPACN-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
SMILESCc1ccc(C(C)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-14-9-11-18(12-10-14)16(3)19-13-15(2)17-7-5-4-6-8-17/h4-12,15-16,19H,13H2,1-3H3
InChIKeyWUCCXUOSEOUJRX-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.45
Rot. Bonds5

About N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine

N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine (PubChem CID 43097751) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
PubChem CID43097751
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
SMILESCc1ccc(C(C)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-14-9-11-18(12-10-14)16(3)19-13-15(2)17-7-5-4-6-8-17/h4-12,15-16,19H,13H2,1-3H3
InChIKeyWUCCXUOSEOUJRX-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
CID 43769130
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7934702
2-(4-methylphenoxy)-N-(1-phenylethyl)butan-1-amine
CID 54797210
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine (CID 43097751) is N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine is Cc1ccc(C(C)NCC(C)c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine?
The InChIKey is WUCCXUOSEOUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-9-11-18(12-10-14)16(3)19-13-15(2)17-7-5-4-6-8-17/h4-12,15-16,19H,13H2,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine?
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 43097751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).