5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C16H23Cl2N — CID 79607900

IUPAC5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2N/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
InChIKeyXVETUADPDIWPFU-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.12
Rot. Bonds7

About 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79607900) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79607900
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2N/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
InChIKeyXVETUADPDIWPFU-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.12
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

(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598459
5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607300
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607295
(E)-4-(6-chloro-2,3-difluorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114275301
4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 79607900) is 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is CC(=CCCNCC(C)C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is XVETUADPDIWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/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.
What are the key properties of 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79607900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).