1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine

C13H18FN — CID 79179136

IUPAC1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccc(F)cc1)NC
InChIInChI=1S/C13H18FN/c1-10(2)8-13(15-3)9-11-4-6-12(14)7-5-11/h4-7,13,15H,1,8-9H2,2-3H3
InChIKeyKBQSEUVXAVEAMD-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.92
Rot. Bonds5

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

1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine (PubChem CID 79179136) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
PubChem CID79179136
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1ccc(F)cc1)NC
InChIInChI=1S/C13H18FN/c1-10(2)8-13(15-3)9-11-4-6-12(14)7-5-11/h4-7,13,15H,1,8-9H2,2-3H3
InChIKeyKBQSEUVXAVEAMD-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.92
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

1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
[1-(4-fluorophenyl)-5-methylhex-5-en-2-yl]hydrazine
CID 105198284
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331
1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 105003817
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958964
N-ethyl-1-(4-fluorophenyl)-4-methylidenehexan-2-amine
CID 66044344
[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105206774
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine (CID 79179136) is 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine is C=C(C)CC(Cc1ccc(F)cc1)NC.
What is the InChIKey of 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine?
The InChIKey is KBQSEUVXAVEAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(2)8-13(15-3)9-11-4-6-12(14)7-5-11/h4-7,13,15H,1,8-9H2,2-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine?
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine has a molecular weight of 207.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine is sourced from PubChem (CID 79179136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).