1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine

C15H22ClN — CID 114028358

IUPAC1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(Cl)cc1C
InChIInChI=1S/C15H22ClN/c1-5-17-15(9-6-11(2)3)14-8-7-13(16)10-12(14)4/h7-8,10,15,17H,2,5-6,9H2,1,3-4H3
InChIKeyZJPRMURQIAMQDZ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.66
Rot. Bonds6

About 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine

1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 114028358) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID114028358
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(Cl)cc1C
InChIInChI=1S/C15H22ClN/c1-5-17-15(9-6-11(2)3)14-8-7-13(16)10-12(14)4/h7-8,10,15,17H,2,5-6,9H2,1,3-4H3
InChIKeyZJPRMURQIAMQDZ-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039440
1-(5-chloro-2-methylphenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992924
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475843

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine (CID 114028358) is 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is ZJPRMURQIAMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-5-17-15(9-6-11(2)3)14-8-7-13(16)10-12(14)4/h7-8,10,15,17H,2,5-6,9H2,1,3-4H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114028358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).