2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol

C11H15ClFNO — CID 75355893

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-2-9(7-15)14-6-8-3-4-11(13)10(12)5-8/h3-5,9,14-15H,2,6-7H2,1H3
InChIKeyKKOYSBQQEZJXQG-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol

2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol (PubChem CID 75355893) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
PubChem CID75355893
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-2-9(7-15)14-6-8-3-4-11(13)10(12)5-8/h3-5,9,14-15H,2,6-7H2,1H3
InChIKeyKKOYSBQQEZJXQG-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-[(3-chloro-4-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 79008350
1-[(3-chloro-4-fluorophenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110922317
(2S)-2-[(3-chloro-4-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81145636
3-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 109482052
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63478552
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpentan-2-amine
CID 62538419
2-[(3-chloro-4-fluorophenyl)methylamino]butanoic acid
CID 64669963
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
CID 65315014
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol (CID 75355893) is 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol is CCC(CO)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is KKOYSBQQEZJXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-2-9(7-15)14-6-8-3-4-11(13)10(12)5-8/h3-5,9,14-15H,2,6-7H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol?
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-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 2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 75355893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).