1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol

C15H16ClNO2 — CID 107469515

IUPAC1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H16ClNO2/c1-19-14-4-2-3-12(15(14)17)13(18)9-10-5-7-11(16)8-6-10/h2-8,13,18H,9,17H2,1H3
InChIKeyUPZWOMLYMCDEFF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol

1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol (PubChem CID 107469515) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
PubChem CID107469515
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H16ClNO2/c1-19-14-4-2-3-12(15(14)17)13(18)9-10-5-7-11(16)8-6-10/h2-8,13,18H,9,17H2,1H3
InChIKeyUPZWOMLYMCDEFF-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63016764
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 107469320
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 107469558
1-(2-amino-3-methoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 107469294
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 115802739
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol (CID 107469515) is 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol is COc1cccc(C(O)Cc2ccc(Cl)cc2)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is UPZWOMLYMCDEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-19-14-4-2-3-12(15(14)17)13(18)9-10-5-7-11(16)8-6-10/h2-8,13,18H,9,17H2,1H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol?
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol has a molecular weight of 277.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 107469515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).