1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine

C20H27N — CID 63424575

IUPAC1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cccc(-c2ccc(CC)cc2)c1
InChIInChI=1S/C20H27N/c1-4-14-21-20(6-3)19-9-7-8-18(15-19)17-12-10-16(5-2)11-13-17/h7-13,15,20-21H,4-6,14H2,1-3H3
InChIKeyHHWKAIDCSPJREZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.37
Rot. Bonds7

About 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine

1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine (PubChem CID 63424575) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine
PubChem CID63424575
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cccc(-c2ccc(CC)cc2)c1
InChIInChI=1S/C20H27N/c1-4-14-21-20(6-3)19-9-7-8-18(15-19)17-12-10-16(5-2)11-13-17/h7-13,15,20-21H,4-6,14H2,1-3H3
InChIKeyHHWKAIDCSPJREZ-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424857
1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424386
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine
CID 104736871
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine (CID 63424575) is 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1cccc(-c2ccc(CC)cc2)c1.
What is the InChIKey of 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is HHWKAIDCSPJREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-14-21-20(6-3)19-9-7-8-18(15-19)17-12-10-16(5-2)11-13-17/h7-13,15,20-21H,4-6,14H2,1-3H3.
What are the key properties of 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine?
1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 63424575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).