(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine

C16H23F2N — CID 107514686

IUPAC(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H23F2N/c1-11(2)10-19-9-5-6-12(3)14-8-7-13(4)15(17)16(14)18/h6-8,11,19H,5,9-10H2,1-4H3/b12-6-
InChIKeyXYJAWKBNWHTNHZ-SDQBBNPISA-N
MW267.36 g/mol
LogP4.31
Rot. Bonds6

About (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine

(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 107514686) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID107514686
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H23F2N/c1-11(2)10-19-9-5-6-12(3)14-8-7-13(4)15(17)16(14)18/h6-8,11,19H,5,9-10H2,1-4H3/b12-6-
InChIKeyXYJAWKBNWHTNHZ-SDQBBNPISA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.31
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

4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607295
1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
CID 107514672
4-(3-fluoro-5-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79704136
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
5-chloro-3-[5-(2-methylpropylamino)pent-2-en-2-yl]pyridin-2-amine
CID 79606820
(Z)-4-(4-bromo-3-chloro-2-fluorophenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106763774
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 114666338
(E)-4-(6-chloro-2,3-difluorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114275301
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 107514686) is (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine is C/C(=C/CCNCC(C)C)c1ccc(C)c(F)c1F.
What is the InChIKey of (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is XYJAWKBNWHTNHZ-SDQBBNPISA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)10-19-9-5-6-12(3)14-8-7-13(4)15(17)16(14)18/h6-8,11,19H,5,9-10H2,1-4H3/b12-6-.
What are the key properties of (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine?
(Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,3-difluoro-4-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 107514686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).