(3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine

C15H20FN — CID 143911657

IUPAC(3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine
SMILESC/C=C(F)\C=C/CCNCc1ccc(C)cc1
InChIInChI=1S/C15H20FN/c1-3-15(16)6-4-5-11-17-12-14-9-7-13(2)8-10-14/h3-4,6-10,17H,5,11-12H2,1-2H3/b6-4-,15-3+
InChIKeyXLAVYHUGAUXGJI-DBJUQXDQSA-N
MW233.33 g/mol
LogP3.90
Rot. Bonds6

About (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine

(3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine (PubChem CID 143911657) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine
PubChem CID143911657
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine
SMILESC/C=C(F)\C=C/CCNCc1ccc(C)cc1
InChIInChI=1S/C15H20FN/c1-3-15(16)6-4-5-11-17-12-14-9-7-13(2)8-10-14/h3-4,6-10,17H,5,11-12H2,1-2H3/b6-4-,15-3+
InChIKeyXLAVYHUGAUXGJI-DBJUQXDQSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-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

2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
3-[(4-methylphenyl)methylamino]propane-1-sulfonic acid
CID 11976877
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
(E)-6-(benzylamino)hex-3-en-2-one
CID 14810114
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol
CID 79360596
methyl (E)-5-(benzylamino)pent-2-enoate
CID 11085308
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
N,N-dimethyl-4-[[[(E)-pent-3-enyl]amino]methyl]aniline
CID 115629178
(E)-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 113236609
1-[2-[(4-methylphenyl)methylamino]ethylamino]propan-2-one
CID 21339507
[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone
CID 67853321

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine (CID 143911657) is (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine is C/C=C(F)\C=C/CCNCc1ccc(C)cc1.
What is the InChIKey of (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine?
The InChIKey is XLAVYHUGAUXGJI-DBJUQXDQSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-15(16)6-4-5-11-17-12-14-9-7-13(2)8-10-14/h3-4,6-10,17H,5,11-12H2,1-2H3/b6-4-,15-3+.
What are the key properties of (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine?
(3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine has a molecular weight of 233.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-N-[(4-methylphenyl)methyl]hepta-3,5-dien-1-amine is sourced from PubChem (CID 143911657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).