1-(3-ethoxyphenyl)-3-phenylpropan-1-amine

C17H21NO — CID 60817898

IUPAC1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
SMILESCCOc1cccc(C(N)CCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-2-19-16-10-6-9-15(13-16)17(18)12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12,18H2,1H3
InChIKeyRVIHNWJDBLHJOD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.72
Rot. Bonds6

About 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine

1-(3-ethoxyphenyl)-3-phenylpropan-1-amine (PubChem CID 60817898) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
PubChem CID60817898
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
SMILESCCOc1cccc(C(N)CCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-2-19-16-10-6-9-15(13-16)17(18)12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12,18H2,1H3
InChIKeyRVIHNWJDBLHJOD-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
1-(3-ethoxyphenyl)-5-methylhexan-1-amine
CID 83161762
1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
CID 55095433
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262632

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine (CID 60817898) is 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine is CCOc1cccc(C(N)CCc2ccccc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine?
The InChIKey is RVIHNWJDBLHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-19-16-10-6-9-15(13-16)17(18)12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12,18H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine?
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 60817898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).