3-phenyl-1-(2-propoxyphenyl)propan-1-amine

C18H23NO — CID 104659951

IUPAC3-phenyl-1-(2-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccccc1C(N)CCc1ccccc1
InChIInChI=1S/C18H23NO/c1-2-14-20-18-11-7-6-10-16(18)17(19)13-12-15-8-4-3-5-9-15/h3-11,17H,2,12-14,19H2,1H3
InChIKeyTURNQXKJUICFNP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds7

About 3-phenyl-1-(2-propoxyphenyl)propan-1-amine

3-phenyl-1-(2-propoxyphenyl)propan-1-amine (PubChem CID 104659951) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-phenyl-1-(2-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-1-(2-propoxyphenyl)propan-1-amine
PubChem CID104659951
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-phenyl-1-(2-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccccc1C(N)CCc1ccccc1
InChIInChI=1S/C18H23NO/c1-2-14-20-18-11-7-6-10-16(18)17(19)13-12-15-8-4-3-5-9-15/h3-11,17H,2,12-14,19H2,1H3
InChIKeyTURNQXKJUICFNP-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-propoxyphenyl)propan-1-amine?
The IUPAC name of 3-phenyl-1-(2-propoxyphenyl)propan-1-amine (CID 104659951) is 3-phenyl-1-(2-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-phenyl-1-(2-propoxyphenyl)propan-1-amine?
The canonical SMILES for 3-phenyl-1-(2-propoxyphenyl)propan-1-amine is CCCOc1ccccc1C(N)CCc1ccccc1.
What is the InChIKey of 3-phenyl-1-(2-propoxyphenyl)propan-1-amine?
The InChIKey is TURNQXKJUICFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-14-20-18-11-7-6-10-16(18)17(19)13-12-15-8-4-3-5-9-15/h3-11,17H,2,12-14,19H2,1H3.
What are the key properties of 3-phenyl-1-(2-propoxyphenyl)propan-1-amine?
3-phenyl-1-(2-propoxyphenyl)propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 104659951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).