4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol

C12H18F2N2O — CID 117039211

IUPAC4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
SMILESCN(Cc1cc(F)ccc1F)CC(O)CCN
InChIInChI=1S/C12H18F2N2O/c1-16(8-11(17)4-5-15)7-9-6-10(13)2-3-12(9)14/h2-3,6,11,17H,4-5,7-8,15H2,1H3
InChIKeyMSLJCVSJOKWWQE-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.11
Rot. Bonds6

About 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol

4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol (PubChem CID 117039211) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
PubChem CID117039211
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
SMILESCN(Cc1cc(F)ccc1F)CC(O)CCN
InChIInChI=1S/C12H18F2N2O/c1-16(8-11(17)4-5-15)7-9-6-10(13)2-3-12(9)14/h2-3,6,11,17H,4-5,7-8,15H2,1H3
InChIKeyMSLJCVSJOKWWQE-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-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

4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190
3-[(2,5-difluorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 55148841
4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol
CID 117039266
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
CID 102609429
1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203931
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872
1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62014573

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol (CID 117039211) is 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol is CN(Cc1cc(F)ccc1F)CC(O)CCN.
What is the InChIKey of 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol?
The InChIKey is MSLJCVSJOKWWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-16(8-11(17)4-5-15)7-9-6-10(13)2-3-12(9)14/h2-3,6,11,17H,4-5,7-8,15H2,1H3.
What are the key properties of 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol?
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol has a molecular weight of 244.28 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 117039211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).