5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine

C15H23Cl2N — CID 64717640

IUPAC5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-5-18-11(2)9-15(3,4)10-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyGPABUUWLWFUEKS-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.95
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine

5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 64717640) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID64717640
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-5-18-11(2)9-15(3,4)10-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyGPABUUWLWFUEKS-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647
5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 106870193
N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine
CID 79738877
5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 114860071
3-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739590
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664609
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
3-[(3,4-dichlorophenyl)methyl]-2-methylpentan-3-amine
CID 62622579
1-tert-butylsulfanyl-3-(3,4-dichlorophenyl)-N-propylpropan-2-amine
CID 65132522
4-(3,4-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65308819

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine (CID 64717640) is 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(C)CC(C)(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is GPABUUWLWFUEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-5-18-11(2)9-15(3,4)10-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 288.26 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 64717640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).