1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine

C18H23NO — CID 105140871

IUPAC1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(N)CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-14(2)5-7-15/h4-7,9-12,18H,3,8,13,19H2,1-2H3
InChIKeyZHNRRXGLOKXIOB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine

1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 105140871) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
PubChem CID105140871
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(N)CCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-14(2)5-7-15/h4-7,9-12,18H,3,8,13,19H2,1-2H3
InChIKeyZHNRRXGLOKXIOB-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105140845
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine (CID 105140871) is 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine is CCOc1ccc(C(N)CCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is ZHNRRXGLOKXIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-14(2)5-7-15/h4-7,9-12,18H,3,8,13,19H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine?
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105140871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).