(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine

C16H24FN — CID 106882828

IUPAC(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H24FN/c1-11(2)18-8-6-7-13(4)16-14(5)9-12(3)10-15(16)17/h7,9-11,18H,6,8H2,1-5H3/b13-7-
InChIKeyWCHZCWJLSPDVTG-QPEQYQDCSA-N
MW249.37 g/mol
LogP4.23
Rot. Bonds5

About (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine

(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 106882828) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID106882828
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H24FN/c1-11(2)18-8-6-7-13(4)16-14(5)9-12(3)10-15(16)17/h7,9-11,18H,6,8H2,1-5H3/b13-7-
InChIKeyWCHZCWJLSPDVTG-QPEQYQDCSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene
CID 102094486
(Z)-4-(4-bromo-3-chloro-2-fluorophenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106763774
(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine
CID 83530633
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
4-(3-fluoro-5-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79704136
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
CID 82114243
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607295
(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 102652357
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
4-(3,5-dimethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79591077
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine
CID 82827774

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine (CID 106882828) is (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine is C/C(=C/CCNC(C)C)c1c(C)cc(C)cc1F.
What is the InChIKey of (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is WCHZCWJLSPDVTG-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(2)18-8-6-7-13(4)16-14(5)9-12(3)10-15(16)17/h7,9-11,18H,6,8H2,1-5H3/b13-7-.
What are the key properties of (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine?
(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 106882828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).