(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine

C15H18FN — CID 144510349

IUPAC(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine
SMILESC=C(N)/C(C)=C(/C)c1ccc(C(=C)C)cc1F
InChIInChI=1S/C15H18FN/c1-9(2)13-6-7-14(15(16)8-13)11(4)10(3)12(5)17/h6-8H,1,5,17H2,2-4H3/b11-10-
InChIKeyYITYXDJWDNQYNP-KHPPLWFESA-N
MW231.31 g/mol
LogP4.12
Rot. Bonds3

About (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine

(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine (PubChem CID 144510349) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine
PubChem CID144510349
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine
SMILESC=C(N)/C(C)=C(/C)c1ccc(C(=C)C)cc1F
InChIInChI=1S/C15H18FN/c1-9(2)13-6-7-14(15(16)8-13)11(4)10(3)12(5)17/h6-8H,1,5,17H2,2-4H3/b11-10-
InChIKeyYITYXDJWDNQYNP-KHPPLWFESA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-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

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine (CID 144510349) is (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine is C=C(N)/C(C)=C(/C)c1ccc(C(=C)C)cc1F.
What is the InChIKey of (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine?
The InChIKey is YITYXDJWDNQYNP-KHPPLWFESA-N. The full InChI is InChI=1S/C15H18FN/c1-9(2)13-6-7-14(15(16)8-13)11(4)10(3)12(5)17/h6-8H,1,5,17H2,2-4H3/b11-10-.
What are the key properties of (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine?
(3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine has a molecular weight of 231.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpenta-1,3-dien-2-amine is sourced from PubChem (CID 144510349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).