3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol

C17H21NO2 — CID 65185753

IUPAC3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-3-5-14(10-12)17(19)16(11-18)13-6-8-15(20-2)9-7-13/h3-10,16-17,19H,11,18H2,1-2H3
InChIKeyREJXCPBIHHNPJG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol

3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol (PubChem CID 65185753) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
PubChem CID65185753
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-3-5-14(10-12)17(19)16(11-18)13-6-8-15(20-2)9-7-13/h3-10,16-17,19H,11,18H2,1-2H3
InChIKeyREJXCPBIHHNPJG-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-1-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 82876372
3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107994868
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107954980
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol (CID 65185753) is 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol is COc1ccc(C(CN)C(O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol?
The InChIKey is REJXCPBIHHNPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-3-5-14(10-12)17(19)16(11-18)13-6-8-15(20-2)9-7-13/h3-10,16-17,19H,11,18H2,1-2H3.
What are the key properties of 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol?
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 65185753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).