(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine

C13H18FN — CID 114350051

IUPAC(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCN)Cc1ccc(F)cc1C
InChIInChI=1S/C13H18FN/c1-10(4-3-7-15)8-12-5-6-13(14)9-11(12)2/h4-6,9H,3,7-8,15H2,1-2H3/b10-4-
InChIKeyHPIJRKVHBQMIME-WMZJFQQLSA-N
MW207.29 g/mol
LogP2.97
Rot. Bonds4

About (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine

(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine (PubChem CID 114350051) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
PubChem CID114350051
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCN)Cc1ccc(F)cc1C
InChIInChI=1S/C13H18FN/c1-10(4-3-7-15)8-12-5-6-13(14)9-11(12)2/h4-6,9H,3,7-8,15H2,1-2H3/b10-4-
InChIKeyHPIJRKVHBQMIME-WMZJFQQLSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine
CID 105411233
2,4-difluoro-1-[(Z)-3-fluoro-2-methylprop-2-enyl]benzene
CID 69132615
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527765
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
3-(4-fluoro-2-methylphenyl)-2-methylprop-2-en-1-amine
CID 79330402
4-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350390
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine (CID 114350051) is (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine is C/C(=C/CCN)Cc1ccc(F)cc1C.
What is the InChIKey of (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine?
The InChIKey is HPIJRKVHBQMIME-WMZJFQQLSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(4-3-7-15)8-12-5-6-13(14)9-11(12)2/h4-6,9H,3,7-8,15H2,1-2H3/b10-4-.
What are the key properties of (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine?
(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 114350051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).