1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol

C10H13ClFNO — CID 82471992

IUPAC1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
SMILESCC(O)CNCc1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFNO/c1-7(14)5-13-6-8-4-9(11)2-3-10(8)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyFVBWBKAZKCISQB-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.95
Rot. Bonds4

About 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol

1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol (PubChem CID 82471992) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
PubChem CID82471992
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
SMILESCC(O)CNCc1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFNO/c1-7(14)5-13-6-8-4-9(11)2-3-10(8)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeyFVBWBKAZKCISQB-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
CID 43499358
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103845041
N-[(5-chloro-2-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 115762111
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
CID 115263054
2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol
CID 113334906
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol (CID 82471992) is 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol is CC(O)CNCc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is FVBWBKAZKCISQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7(14)5-13-6-8-4-9(11)2-3-10(8)12/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol?
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 217.67 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 82471992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).