(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C16H23ClFN — CID 103051630

IUPAC(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFN/c1-12(2)11-19-8-4-5-13(3)9-14-10-15(17)6-7-16(14)18/h5-7,10,12,19H,4,8-9,11H2,1-3H3/b13-5-
InChIKeyDVXYWCYMZXLRMO-ACAGNQJTSA-N
MW283.82 g/mol
LogP4.60
Rot. Bonds7

About (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 103051630) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID103051630
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H23ClFN/c1-12(2)11-19-8-4-5-13(3)9-14-10-15(17)6-7-16(14)18/h5-7,10,12,19H,4,8-9,11H2,1-3H3/b13-5-
InChIKeyDVXYWCYMZXLRMO-ACAGNQJTSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607300
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598459
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607295
4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
(E)-4-(6-chloro-2,3-difluorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114275301
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 103051630) is (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is C/C(=C/CCNCC(C)C)Cc1cc(Cl)ccc1F.
What is the InChIKey of (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is DVXYWCYMZXLRMO-ACAGNQJTSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-12(2)11-19-8-4-5-13(3)9-14-10-15(17)6-7-16(14)18/h5-7,10,12,19H,4,8-9,11H2,1-3H3/b13-5-.
What are the key properties of (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 103051630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).