4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol

C16H17ClFNO2 — CID 82160859

IUPAC4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
SMILESCOc1cc(CC(CN)c2ccc(F)cc2)cc(Cl)c1O
InChIInChI=1S/C16H17ClFNO2/c1-21-15-8-10(7-14(17)16(15)20)6-12(9-19)11-2-4-13(18)5-3-11/h2-5,7-8,12,20H,6,9,19H2,1H3
InChIKeySPONFUIZFYOQMD-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.48
Rot. Bonds5

About 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol

4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol (PubChem CID 82160859) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
PubChem CID82160859
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
SMILESCOc1cc(CC(CN)c2ccc(F)cc2)cc(Cl)c1O
InChIInChI=1S/C16H17ClFNO2/c1-21-15-8-10(7-14(17)16(15)20)6-12(9-19)11-2-4-13(18)5-3-11/h2-5,7-8,12,20H,6,9,19H2,1H3
InChIKeySPONFUIZFYOQMD-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
CID 82160813
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83953274
3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 112539072
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
2-chloro-4-[(1S)-1,2-diaminoethyl]-6-methoxyphenol;hydrochloride
CID 171215335

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol?
The IUPAC name of 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol (CID 82160859) is 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol?
The canonical SMILES for 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol is COc1cc(CC(CN)c2ccc(F)cc2)cc(Cl)c1O.
What is the InChIKey of 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol?
The InChIKey is SPONFUIZFYOQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-21-15-8-10(7-14(17)16(15)20)6-12(9-19)11-2-4-13(18)5-3-11/h2-5,7-8,12,20H,6,9,19H2,1H3.
What are the key properties of 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol?
4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol has a molecular weight of 309.77 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol is sourced from PubChem (CID 82160859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).