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

C16H17ClFNO2 — CID 107994868

IUPAC3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H17ClFNO2/c1-21-12-5-2-10(3-6-12)13(9-19)16(20)11-4-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3
InChIKeyLFSSWACPWLWHON-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.26
Rot. Bonds5

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

3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 107994868) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
PubChem CID107994868
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H17ClFNO2/c1-21-12-5-2-10(3-6-12)13(9-19)16(20)11-4-7-14(17)15(18)8-11/h2-8,13,16,20H,9,19H2,1H3
InChIKeyLFSSWACPWLWHON-UHFFFAOYSA-N
XLogP3.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.26
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-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
1-chloro-4-[1,4-dichloro-3-(4-methoxyphenyl)butan-2-yl]-2-fluorobenzene
CID 163669209
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
ethyl 2-amino-3-(4-chloro-3-fluorophenyl)-3-hydroxypropanoate
CID 66207155
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
CID 107897068
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol (CID 107994868) is 3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CN)C(O)c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is LFSSWACPWLWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-21-12-5-2-10(3-6-12)13(9-19)16(20)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-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol?
3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 309.77 g/mol, XLogP of 3.26, 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-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 107994868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).