3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol

C13H20FNO — CID 115134180

IUPAC3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCN(Cc1cccc(F)c1)C(C)(C)CCO
InChIInChI=1S/C13H20FNO/c1-13(2,7-8-16)15(3)10-11-5-4-6-12(14)9-11/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyUOQLOVKUYVCPOT-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.42
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol

3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115134180) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115134180
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCN(Cc1cccc(F)c1)C(C)(C)CCO
InChIInChI=1S/C13H20FNO/c1-13(2,7-8-16)15(3)10-11-5-4-6-12(14)9-11/h4-6,9,16H,7-8,10H2,1-3H3
InChIKeyUOQLOVKUYVCPOT-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-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-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 62271084
4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66454766
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 63945546
[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]boronic acid
CID 63964230
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
CID 115134171
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934884
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115134180) is 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol is CN(Cc1cccc(F)c1)C(C)(C)CCO.
What is the InChIKey of 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is UOQLOVKUYVCPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,7-8-16)15(3)10-11-5-4-6-12(14)9-11/h4-6,9,16H,7-8,10H2,1-3H3.
What are the key properties of 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol?
3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).