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

C17H21NO2 — CID 65186124

IUPAC3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCOc1cccc(C(O)C(CN)c2ccccc2C)c1
InChIInChI=1S/C17H21NO2/c1-12-6-3-4-9-15(12)16(11-18)17(19)13-7-5-8-14(10-13)20-2/h3-10,16-17,19H,11,18H2,1-2H3
InChIKeyMCLSUPVXADQJBH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds5

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

3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 65186124) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
PubChem CID65186124
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCOc1cccc(C(O)C(CN)c2ccccc2C)c1
InChIInChI=1S/C17H21NO2/c1-12-6-3-4-9-15(12)16(11-18)17(19)13-7-5-8-14(10-13)20-2/h3-10,16-17,19H,11,18H2,1-2H3
InChIKeyMCLSUPVXADQJBH-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-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79212579
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol
CID 65189256
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
CID 79206483
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
CID 65189932
3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 65190689
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol (CID 65186124) is 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol is COc1cccc(C(O)C(CN)c2ccccc2C)c1.
What is the InChIKey of 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is MCLSUPVXADQJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-6-3-4-9-15(12)16(11-18)17(19)13-7-5-8-14(10-13)20-2/h3-10,16-17,19H,11,18H2,1-2H3.
What are the key properties of 3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol?
3-amino-1-(3-methoxyphenyl)-2-(2-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-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 65186124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).