5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

C14H19Cl2N — CID 79598459

IUPAC5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N/c1-3-17-8-4-5-11(2)9-12-10-13(15)6-7-14(12)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyGLBAULNZOVVEND-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.48
Rot. Bonds6

About 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine

5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (PubChem CID 79598459) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
PubChem CID79598459
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2N/c1-3-17-8-4-5-11(2)9-12-10-13(15)6-7-14(12)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyGLBAULNZOVVEND-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.48
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
(Z)-5-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 107889142
(Z)-5-(2-chloro-3-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 112654998
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630
(Z)-5-(4-chloro-3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 114013103
N-ethyl-4-methyl-5-(2,4,6-trimethylphenyl)pent-3-en-1-amine
CID 79599102
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79598454
4-(4-chloro-3-methoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79699951
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
5-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607300
3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79599485

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine (CID 79598459) is 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is CCNCCC=C(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
The InChIKey is GLBAULNZOVVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-3-17-8-4-5-11(2)9-12-10-13(15)6-7-14(12)16/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine?
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-ethyl-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79598459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).