1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine

C15H24ClN — CID 55186414

IUPAC1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-5-17-14(10-11-15(2,3)4)12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyAEXFXFNRVBFAAL-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.82
Rot. Bonds5

About 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine

1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (PubChem CID 55186414) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
PubChem CID55186414
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-5-17-14(10-11-15(2,3)4)12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyAEXFXFNRVBFAAL-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62644843
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine (CID 55186414) is 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine is CCNC(CCC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
The InChIKey is AEXFXFNRVBFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-5-17-14(10-11-15(2,3)4)12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine?
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 55186414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).