4-amino-1-fluoro-4-phenylbutan-1-ol

C10H14FNO — CID 102340045

IUPAC4-amino-1-fluoro-4-phenylbutan-1-ol
SMILESNC(CCC(O)F)c1ccccc1
InChIInChI=1S/C10H14FNO/c11-10(13)7-6-9(12)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2
InChIKeyGBNYVMXBXFWQAC-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.75
Rot. Bonds4

About 4-amino-1-fluoro-4-phenylbutan-1-ol

4-amino-1-fluoro-4-phenylbutan-1-ol (PubChem CID 102340045) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-amino-1-fluoro-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-amino-1-fluoro-4-phenylbutan-1-ol
PubChem CID102340045
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-amino-1-fluoro-4-phenylbutan-1-ol
SMILESNC(CCC(O)F)c1ccccc1
InChIInChI=1S/C10H14FNO/c11-10(13)7-6-9(12)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2
InChIKeyGBNYVMXBXFWQAC-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-fluoro-4-phenylbutan-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

(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
3-amino-3-phenylpropane-1-sulfonic acid
CID 11976922
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
4-amino-1,4-diphenylbutan-1-one
CID 116570833
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
(1S)-2-(difluoromethoxy)-1-phenylethanamine
CID 118168971

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-fluoro-4-phenylbutan-1-ol?
The IUPAC name of 4-amino-1-fluoro-4-phenylbutan-1-ol (CID 102340045) is 4-amino-1-fluoro-4-phenylbutan-1-ol.
What is the SMILES notation for 4-amino-1-fluoro-4-phenylbutan-1-ol?
The canonical SMILES for 4-amino-1-fluoro-4-phenylbutan-1-ol is NC(CCC(O)F)c1ccccc1.
What is the InChIKey of 4-amino-1-fluoro-4-phenylbutan-1-ol?
The InChIKey is GBNYVMXBXFWQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-10(13)7-6-9(12)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2.
What are the key properties of 4-amino-1-fluoro-4-phenylbutan-1-ol?
4-amino-1-fluoro-4-phenylbutan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-fluoro-4-phenylbutan-1-ol is sourced from PubChem (CID 102340045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).