1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine

C20H27N — CID 174848897

IUPAC1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
SMILESCCc1ccccc1CC(C)NCCCc1ccccc1
InChIInChI=1S/C20H27N/c1-3-19-13-7-8-14-20(19)16-17(2)21-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14,17,21H,3,9,12,15-16H2,1-2H3
InChIKeyPMCCVLQDJWYTCB-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.40
Rot. Bonds8

About 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine

1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine (PubChem CID 174848897) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
PubChem CID174848897
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
SMILESCCc1ccccc1CC(C)NCCCc1ccccc1
InChIInChI=1S/C20H27N/c1-3-19-13-7-8-14-20(19)16-17(2)21-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14,17,21H,3,9,12,15-16H2,1-2H3
InChIKeyPMCCVLQDJWYTCB-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
CID 114333571
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
3-(3-phenylpropylamino)butanenitrile
CID 60905257
N-[(2S)-1-(2-iodo-5-methoxyphenyl)propan-2-yl]-4-phenylbutan-1-amine
CID 129405336
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine?
The IUPAC name of 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine (CID 174848897) is 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine?
The canonical SMILES for 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine is CCc1ccccc1CC(C)NCCCc1ccccc1.
What is the InChIKey of 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine?
The InChIKey is PMCCVLQDJWYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-19-13-7-8-14-20(19)16-17(2)21-15-9-12-18-10-5-4-6-11-18/h4-8,10-11,13-14,17,21H,3,9,12,15-16H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine?
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine is sourced from PubChem (CID 174848897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).