3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol

C10H13ClFNO — CID 82471989

IUPAC3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
SMILESCC(N)(CCO)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-10(13,5-6-14)9-7(11)3-2-4-8(9)12/h2-4,14H,5-6,13H2,1H3
InChIKeyPQCQLIDSZUXZPE-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.04
Rot. Bonds3

About 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol

3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol (PubChem CID 82471989) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
PubChem CID82471989
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
SMILESCC(N)(CCO)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFNO/c1-10(13,5-6-14)9-7(11)3-2-4-8(9)12/h2-4,14H,5-6,13H2,1H3
InChIKeyPQCQLIDSZUXZPE-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
tert-butyl 4-amino-3-(2-chloro-6-fluorophenyl)-3-methylbutanoate
CID 146308139
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-(2-chloro-6-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 62596396
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113343226
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
CID 102857098
2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 63516841
4-amino-3-(3-chloro-4-fluorophenyl)-3,4-dimethylpentan-1-ol
CID 66091208

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol?
The IUPAC name of 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol (CID 82471989) is 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol.
What is the SMILES notation for 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol?
The canonical SMILES for 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol is CC(N)(CCO)c1c(F)cccc1Cl.
What is the InChIKey of 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol?
The InChIKey is PQCQLIDSZUXZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-10(13,5-6-14)9-7(11)3-2-4-8(9)12/h2-4,14H,5-6,13H2,1H3.
What are the key properties of 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol?
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol is sourced from PubChem (CID 82471989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).