N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine

C16H24FN — CID 79607279

IUPACN-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FN/c1-12(7-6-10-18-16(3,4)5)14-8-9-15(17)13(2)11-14/h7-9,11,18H,6,10H2,1-5H3
InChIKeyXJJDMCQQOINMFX-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.32
Rot. Bonds4

About N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine

N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine (PubChem CID 79607279) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
PubChem CID79607279
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FN/c1-12(7-6-10-18-16(3,4)5)14-8-9-15(17)13(2)11-14/h7-9,11,18H,6,10H2,1-5H3
InChIKeyXJJDMCQQOINMFX-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.32
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

N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607295
N-tert-butyl-4-(2,3-difluorophenyl)pent-3-en-1-amine
CID 79606963
(E)-N-tert-butyl-4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
CID 107129532
(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine
CID 82782276
N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine
CID 79607714
(Z)-N-tert-butyl-5-(3-chloro-2-fluorophenyl)-4-methylpent-3-en-1-amine
CID 102864149
4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene
CID 79018652
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
4-fluoro-N,3-dimethylbenzenecarbothioamide
CID 116827662
4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine
CID 79608060

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine (CID 79607279) is N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine is CC(=CCCNC(C)(C)C)c1ccc(F)c(C)c1.
What is the InChIKey of N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine?
The InChIKey is XJJDMCQQOINMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(7-6-10-18-16(3,4)5)14-8-9-15(17)13(2)11-14/h7-9,11,18H,6,10H2,1-5H3.
What are the key properties of N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine?
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79607279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).