2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol

C17H20FNO — CID 106508546

IUPAC2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)Cc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13-6-8-15(9-7-13)17(11-19,12-20)10-14-4-2-3-5-16(14)18/h2-9,20H,10-12,19H2,1H3
InChIKeyTWVUGKXAEKDOSQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.57
Rot. Bonds5

About 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 106508546) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID106508546
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)Cc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13-6-8-15(9-7-13)17(11-19,12-20)10-14-4-2-3-5-16(14)18/h2-9,20H,10-12,19H2,1H3
InChIKeyTWVUGKXAEKDOSQ-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-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-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507335
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 106506993
3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
CID 114831558
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 106508573
2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 106508633
2-(aminomethyl)-3-(2-bromophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507116
2-[(2,5-dimethylphenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79444429

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol (CID 106508546) is 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)(CO)Cc2ccccc2F)cc1.
What is the InChIKey of 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is TWVUGKXAEKDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13-6-8-15(9-7-13)17(11-19,12-20)10-14-4-2-3-5-16(14)18/h2-9,20H,10-12,19H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 106508546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).