1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine

C15H23NO2 — CID 115785497

IUPAC1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1cccc(C(N)CCC2CCCCO2)c1
InChIInChI=1S/C15H23NO2/c1-17-14-7-4-5-12(11-14)15(16)9-8-13-6-2-3-10-18-13/h4-5,7,11,13,15H,2-3,6,8-10,16H2,1H3
InChIKeyHIYUQUWYRPVHAB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine

1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 115785497) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID115785497
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCOc1cccc(C(N)CCC2CCCCO2)c1
InChIInChI=1S/C15H23NO2/c1-17-14-7-4-5-12(11-14)15(16)9-8-13-6-2-3-10-18-13/h4-5,7,11,13,15H,2-3,6,8-10,16H2,1H3
InChIKeyHIYUQUWYRPVHAB-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
[1-(3-cyclopropyloxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105341075
1-(3-methoxyphenyl)-1-(oxolan-2-ylmethylsulfanyl)butan-2-amine
CID 106494112
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine (CID 115785497) is 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine is COc1cccc(C(N)CCC2CCCCO2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is HIYUQUWYRPVHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-14-7-4-5-12(11-14)15(16)9-8-13-6-2-3-10-18-13/h4-5,7,11,13,15H,2-3,6,8-10,16H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine?
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 115785497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).