3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol

C16H17Cl2NO2 — CID 65186666

IUPAC3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESCOc1cc(Cl)ccc1C(O)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2NO2/c1-21-15-8-12(18)5-6-13(15)16(20)14(9-19)10-3-2-4-11(17)7-10/h2-8,14,16,20H,9,19H2,1H3
InChIKeyCFRMRYDQCHOABN-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.78
Rot. Bonds5

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

3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol (PubChem CID 65186666) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
PubChem CID65186666
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESCOc1cc(Cl)ccc1C(O)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2NO2/c1-21-15-8-12(18)5-6-13(15)16(20)14(9-19)10-3-2-4-11(17)7-10/h2-8,14,16,20H,9,19H2,1H3
InChIKeyCFRMRYDQCHOABN-UHFFFAOYSA-N
XLogP3.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
3-amino-2-(3-chlorophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65186329
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527014
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol
CID 65186084

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol (CID 65186666) is 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol is COc1cc(Cl)ccc1C(O)C(CN)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol?
The InChIKey is CFRMRYDQCHOABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-21-15-8-12(18)5-6-13(15)16(20)14(9-19)10-3-2-4-11(17)7-10/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol?
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol has a molecular weight of 326.22 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 65186666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).