5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine

C16H26ClN — CID 106870193

IUPAC5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClN/c1-6-18-13(3)10-16(4,5)11-14-8-7-12(2)9-15(14)17/h7-9,13,18H,6,10-11H2,1-5H3
InChIKeyKZCWMIJBAWAPKN-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.61
Rot. Bonds6

About 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine

5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 106870193) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID106870193
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClN/c1-6-18-13(3)10-16(4,5)11-14-8-7-12(2)9-15(14)17/h7-9,13,18H,6,10-11H2,1-5H3
InChIKeyKZCWMIJBAWAPKN-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 114860071
5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64717449
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64717224
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647
1-[2-(bromomethyl)-2-methylpentyl]-2-chloro-4-methylbenzene
CID 106870681
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 106866902
N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine
CID 106863177

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine (CID 106870193) is 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(C)CC(C)(C)Cc1ccc(C)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is KZCWMIJBAWAPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-6-18-13(3)10-16(4,5)11-14-8-7-12(2)9-15(14)17/h7-9,13,18H,6,10-11H2,1-5H3.
What are the key properties of 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 106870193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).