3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine

C18H23NO2 — CID 10177883

IUPAC3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
SMILESCC(C)Oc1ccc(OC(CCN)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)20-16-8-10-17(11-9-16)21-18(12-13-19)15-6-4-3-5-7-15/h3-11,14,18H,12-13,19H2,1-2H3
InChIKeyWFXWQQGAXIHEJF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds7

About 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine

3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine (PubChem CID 10177883) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
PubChem CID10177883
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
SMILESCC(C)Oc1ccc(OC(CCN)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-14(2)20-16-8-10-17(11-9-16)21-18(12-13-19)15-6-4-3-5-7-15/h3-11,14,18H,12-13,19H2,1-2H3
InChIKeyWFXWQQGAXIHEJF-UHFFFAOYSA-N
XLogP3.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
3-(4-ethylphenoxy)-3-phenylpropan-1-amine
CID 112501685
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
3-butoxy-3-phenylpropan-1-amine
CID 114998461
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
5-phenyl-5-(4-phenylmethoxyphenoxy)pentan-1-amine
CID 118528022
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine?
The IUPAC name of 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine (CID 10177883) is 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine.
What is the SMILES notation for 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine?
The canonical SMILES for 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine is CC(C)Oc1ccc(OC(CCN)c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine?
The InChIKey is WFXWQQGAXIHEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)20-16-8-10-17(11-9-16)21-18(12-13-19)15-6-4-3-5-7-15/h3-11,14,18H,12-13,19H2,1-2H3.
What are the key properties of 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine?
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine is sourced from PubChem (CID 10177883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).