1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine

C10H14F2N2 — CID 115524319

IUPAC1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
SMILESCNC(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H14F2N2/c1-14-9(6-13)7-2-4-8(5-3-7)10(11)12/h2-5,9-10,14H,6,13H2,1H3
InChIKeyVZSNGDNGJNVMJP-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.84
Rot. Bonds4

About 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine

1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine (PubChem CID 115524319) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
PubChem CID115524319
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
SMILESCNC(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C10H14F2N2/c1-14-9(6-13)7-2-4-8(5-3-7)10(11)12/h2-5,9-10,14H,6,13H2,1H3
InChIKeyVZSNGDNGJNVMJP-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine 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

N-butan-2-yl-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115524378
1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 115524370
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011833
N-(2-cyclopropylethyl)-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 113328418
1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949684
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane
CID 143698320
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine (CID 115524319) is 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine is CNC(CN)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
The InChIKey is VZSNGDNGJNVMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14-9(6-13)7-2-4-8(5-3-7)10(11)12/h2-5,9-10,14H,6,13H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine?
1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 115524319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).