3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol

C16H17Cl2NO2 — CID 65190367

IUPAC3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-21-12-5-2-10(3-6-12)16(20)13(9-19)11-4-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3
InChIKeyJRFNHKAWUWRXEX-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.78
Rot. Bonds5

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

3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 65190367) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
PubChem CID65190367
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-21-12-5-2-10(3-6-12)16(20)13(9-19)11-4-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3
InChIKeyJRFNHKAWUWRXEX-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-(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-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 80641548

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol (CID 65190367) is 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)C(CN)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is JRFNHKAWUWRXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-21-12-5-2-10(3-6-12)16(20)13(9-19)11-4-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol?
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)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-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65190367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).