2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine

C15H24ClN — CID 106869525

IUPAC2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-5-15(6-2,11-17-4)10-13-8-7-12(3)9-14(13)16/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyWWUDPLZECIHYNJ-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.22
Rot. Bonds6

About 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine

2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 106869525) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID106869525
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClN/c1-5-15(6-2,11-17-4)10-13-8-7-12(3)9-14(13)16/h7-9,17H,5-6,10-11H2,1-4H3
InChIKeyWWUDPLZECIHYNJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 106869532
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256109
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62725874
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 106870193
1-[2-(bromomethyl)-2-methylpentyl]-2-chloro-4-methylbenzene
CID 106870681

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine (CID 106869525) is 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)Cc1ccc(C)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is WWUDPLZECIHYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-5-15(6-2,11-17-4)10-13-8-7-12(3)9-14(13)16/h7-9,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 106869525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).