(1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine

C13H15F2N — CID 146384225

IUPAC(1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine
SMILESCN/C=C(C)\C=C\c1cc(C)c(F)c(F)c1
InChIInChI=1S/C13H15F2N/c1-9(8-16-3)4-5-11-6-10(2)13(15)12(14)7-11/h4-8,16H,1-3H3/b5-4+,9-8-
InChIKeyFLSVWLDGPNSCDC-PXJZJIAOSA-N
MW223.27 g/mol
LogP3.41
Rot. Bonds3

About (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine

(1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine (PubChem CID 146384225) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine
PubChem CID146384225
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine
SMILESCN/C=C(C)\C=C\c1cc(C)c(F)c(F)c1
InChIInChI=1S/C13H15F2N/c1-9(8-16-3)4-5-11-6-10(2)13(15)12(14)7-11/h4-8,16H,1-3H3/b5-4+,9-8-
InChIKeyFLSVWLDGPNSCDC-PXJZJIAOSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-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

(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 166740915
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
(Z)-3-(3-fluoro-4-methylphenyl)-2-methylprop-2-enal
CID 131352523
(E)-3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 86277682
(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 55267143
(E)-N-methoxy-N-methyl-3-(3,4,5-trifluorophenyl)prop-2-enamide
CID 75480899
methyl 4-(4-fluoro-3-methylphenyl)-2-oxobut-3-enoate
CID 170699525
(E)-1-(4-methylsulfanylphenyl)-3-(3,4,5-trifluorophenyl)prop-2-en-1-one
CID 19824628
(3E)-4-(3,4,5-trimethylphenyl)buta-1,3-dien-2-ol
CID 160558061
3-(4-fluoro-3,5-dimethylphenyl)prop-2-enenitrile
CID 169483304
5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
CID 169477157
(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
CID 142377095

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine (CID 146384225) is (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine is CN/C=C(C)\C=C\c1cc(C)c(F)c(F)c1.
What is the InChIKey of (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine?
The InChIKey is FLSVWLDGPNSCDC-PXJZJIAOSA-N. The full InChI is InChI=1S/C13H15F2N/c1-9(8-16-3)4-5-11-6-10(2)13(15)12(14)7-11/h4-8,16H,1-3H3/b5-4+,9-8-.
What are the key properties of (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine?
(1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine has a molecular weight of 223.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-(3,4-difluoro-5-methylphenyl)-N,2-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 146384225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).