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

C11H15ClFNO — CID 112652236

IUPAC3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cccc(F)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-8(5-6-15)14-7-9-3-2-4-10(13)11(9)12/h2-4,8,14-15H,5-7H2,1H3
InChIKeySXFFSUDNJVCQHE-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.34
Rot. Bonds5

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

3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol (PubChem CID 112652236) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol
PubChem CID112652236
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cccc(F)c1Cl
InChIInChI=1S/C11H15ClFNO/c1-8(5-6-15)14-7-9-3-2-4-10(13)11(9)12/h2-4,8,14-15H,5-7H2,1H3
InChIKeySXFFSUDNJVCQHE-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

1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
CID 112654379
N-[(2-chloro-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 114130585
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 115982845
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 103761965
(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
CID 103854651
N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol (CID 112652236) is 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol is CC(CCO)NCc1cccc(F)c1Cl.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is SXFFSUDNJVCQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-8(5-6-15)14-7-9-3-2-4-10(13)11(9)12/h2-4,8,14-15H,5-7H2,1H3.
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol?
3-[(2-chloro-3-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 3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 112652236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).