1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol

C12H17ClFNO2 — CID 82994721

IUPAC1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO2/c1-8(15-6-10(16)7-17-2)9-3-4-11(13)12(14)5-9/h3-5,8,10,15-16H,6-7H2,1-2H3
InChIKeyVGRBQINTRWAHKD-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.14
Rot. Bonds6

About 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol

1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol (PubChem CID 82994721) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
PubChem CID82994721
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO2/c1-8(15-6-10(16)7-17-2)9-3-4-11(13)12(14)5-9/h3-5,8,10,15-16H,6-7H2,1-2H3
InChIKeyVGRBQINTRWAHKD-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chloro-benzylamino)-ethanol
CID 424452
3-(((4-Chlorophenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 3812359
2-[(4-Chlorobenzyl)amino]-1-butanol
CID 961325
2-Propanol, 1-(p-chlorophenyl-tert-butyl)amino-
CID 89514
1-((4-Chlorophenethyl)amino)propan-2-ol
CID 11564750
(2S,3S)-2-[(4-chlorophenyl)methylamino]-3-methylpentan-1-ol
CID 25263456
6-(4-Chloro-benzylamino)-cyclohex-4-ene-1,2,3-triol
CID 44399357
4-{[1-(2-Chlorophenyl)ethyl]amino}butan-2-ol
CID 64911529
(2R)-1-{[1-(4-chlorophenyl)propan-2-yl]amino}propan-2-ol hydrochloride
CID 91663000
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028736
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
2-[[(4-Chlorophenyl)methyl]amino]-4-methylpentan-1-ol
CID 6422607

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol (CID 82994721) is 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol is COCC(O)CNC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol?
The InChIKey is VGRBQINTRWAHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2/c1-8(15-6-10(16)7-17-2)9-3-4-11(13)12(14)5-9/h3-5,8,10,15-16H,6-7H2,1-2H3.
What are the key properties of 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol?
1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol has a molecular weight of 261.72 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 82994721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).