2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol

C16H19FN2O — CID 64790753

IUPAC2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
SMILESCN(CC(N)(CO)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-19(15-9-5-8-14(17)10-15)11-16(18,12-20)13-6-3-2-4-7-13/h2-10,20H,11-12,18H2,1H3
InChIKeySXUVFNVNEUMDDM-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol

2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol (PubChem CID 64790753) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
PubChem CID64790753
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
SMILESCN(CC(N)(CO)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-19(15-9-5-8-14(17)10-15)11-16(18,12-20)13-6-3-2-4-7-13/h2-10,20H,11-12,18H2,1H3
InChIKeySXUVFNVNEUMDDM-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-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

1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607
2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 64818513
2-amino-2-methyl-3-(N-methylanilino)propan-1-ol
CID 64798650
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol (CID 64790753) is 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol is CN(CC(N)(CO)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol?
The InChIKey is SXUVFNVNEUMDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(15-9-5-8-14(17)10-15)11-16(18,12-20)13-6-3-2-4-7-13/h2-10,20H,11-12,18H2,1H3.
What are the key properties of 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol?
2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol has a molecular weight of 274.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64790753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).