1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine

C13H17F2N — CID 105003817

IUPAC1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1cccc(F)c1F)NC
InChIInChI=1S/C13H17F2N/c1-9(2)7-11(16-3)8-10-5-4-6-12(14)13(10)15/h4-6,11,16H,1,7-8H2,2-3H3
InChIKeyVJDHYWZUQQZUSW-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.06
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine

1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine (PubChem CID 105003817) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
PubChem CID105003817
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1cccc(F)c1F)NC
InChIInChI=1S/C13H17F2N/c1-9(2)7-11(16-3)8-10-5-4-6-12(14)13(10)15/h4-6,11,16H,1,7-8H2,2-3H3
InChIKeyVJDHYWZUQQZUSW-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine 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-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
CID 105037105
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2,3-difluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148436
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
CID 104996017
1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol
CID 115817051
1-(3-chloro-2-fluorophenyl)-4-methylpent-4-en-2-ol
CID 82803294
3-(2,3-difluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244886

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine (CID 105003817) is 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine is C=C(C)CC(Cc1cccc(F)c1F)NC.
What is the InChIKey of 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine?
The InChIKey is VJDHYWZUQQZUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(2)7-11(16-3)8-10-5-4-6-12(14)13(10)15/h4-6,11,16H,1,7-8H2,2-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine?
1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine has a molecular weight of 225.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine is sourced from PubChem (CID 105003817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).