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

C11H15ClFNO — CID 102615984

IUPAC1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-10(15)7-14-6-8-5-9(13)3-4-11(8)12/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyLZDBIAXGZAFZAR-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds5

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

1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol (PubChem CID 102615984) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
PubChem CID102615984
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO/c1-2-10(15)7-14-6-8-5-9(13)3-4-11(8)12/h3-5,10,14-15H,2,6-7H2,1H3
InChIKeyLZDBIAXGZAFZAR-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 102615662
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-[(2-chloro-5-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 102615629
N-[(2-chloro-5-fluorophenyl)methyl]prop-2-yn-1-amine
CID 102615324
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
CID 102616791
1-(2-chloro-5-fluorophenyl)-4-methylhexan-2-ol
CID 102623078
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol (CID 102615984) is 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol is CCC(O)CNCc1cc(F)ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol?
The InChIKey is LZDBIAXGZAFZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-10(15)7-14-6-8-5-9(13)3-4-11(8)12/h3-5,10,14-15H,2,6-7H2,1H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol?
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol is sourced from PubChem (CID 102615984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).