3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol

C16H17ClFNO2 — CID 4304234

IUPAC3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol
SMILESCOc1ccc(Cl)cc1NCCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFNO2/c1-21-16-7-4-12(17)10-14(16)19-9-8-15(20)11-2-5-13(18)6-3-11/h2-7,10,15,19-20H,8-9H2,1H3
InChIKeyVARXYJUUTDNBCQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.02
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol

3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 4304234) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol
PubChem CID4304234
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol
SMILESCOc1ccc(Cl)cc1NCCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17ClFNO2/c1-21-16-7-4-12(17)10-14(16)19-9-8-15(20)11-2-5-13(18)6-3-11/h2-7,10,15,19-20H,8-9H2,1H3
InChIKeyVARXYJUUTDNBCQ-UHFFFAOYSA-N
XLogP4.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-Chloro-benzyl)-morpholin-2-ylmethyl]-(5-chloro-2-methoxy-phenyl)-amine
CID 11315028
1-(4-Chlorophenyl)-3-(4-methoxyanilino)-1-propanol
CID 3273693
4-Chloro-2-[1-(4-methoxyanilino)ethyl]phenol
CID 2948326
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetamide
CID 4883961
(1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574783
1-(5-Chloro-2-methoxyphenyl)-3-[4-[(4-fluorophenyl)methyl-methylamino]butyl]urea
CID 57398008
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4787609
1-(5-Chloro-2-methoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
CID 17297684
N-(5-chloro-2-methoxyphenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 2530903
1-(5-Chloro-2-methoxyphenyl)-2-[4-(diethylamino)anilino]ethanol
CID 410992
N-(5-chloro-2-methoxyphenyl)-N'-{[1-(2-fluorobenzyl)piperidin-4-yl]methyl}urea
CID 15989564
3-Chloro-4-fluoro-N-(2-methoxybenzyl)aniline
CID 784535

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol (CID 4304234) is 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol is COc1ccc(Cl)cc1NCCC(O)c1ccc(F)cc1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is VARXYJUUTDNBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-21-16-7-4-12(17)10-14(16)19-9-8-15(20)11-2-5-13(18)6-3-11/h2-7,10,15,19-20H,8-9H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol?
3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 309.77 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 4304234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).