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

C10H13ClFNO — CID 102615479

IUPAC2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-7(6-14)13-5-8-4-9(12)2-3-10(8)11/h2-4,7,13-14H,5-6H2,1H3
InChIKeyAYVMMUIOMHGBNR-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.95
Rot. Bonds4

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

2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol (PubChem CID 102615479) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
PubChem CID102615479
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-7(6-14)13-5-8-4-9(12)2-3-10(8)11/h2-4,7,13-14H,5-6H2,1H3
InChIKeyAYVMMUIOMHGBNR-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

3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
N-[(2-chloro-5-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 102615571
2-[(2-chloro-5-fluorophenyl)methylamino]-N-methylpropanamide
CID 102615565
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
2-[(2-chloro-5-nitrophenyl)methylamino]propan-1-ol
CID 43499430
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 102615548
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
2-[(2-chloro-5-fluorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 102615921
3-[(2-chloro-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 102604918

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol (CID 102615479) is 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol is CC(CO)NCc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol?
The InChIKey is AYVMMUIOMHGBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7(6-14)13-5-8-4-9(12)2-3-10(8)11/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol?
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-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 2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 102615479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).