1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine

C16H25Cl2N — CID 63413199

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-5-19-14(8-9-16(2,3)4)10-12-6-7-13(17)11-15(12)18/h6-7,11,14,19H,5,8-10H2,1-4H3
InChIKeyMFSDJQLNYVEERC-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.34
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine

1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine (PubChem CID 63413199) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
PubChem CID63413199
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-5-19-14(8-9-16(2,3)4)10-12-6-7-13(17)11-15(12)18/h6-7,11,14,19H,5,8-10H2,1-4H3
InChIKeyMFSDJQLNYVEERC-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115849967
methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
CID 82351330
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
4-[1-(2,4-dichlorophenyl)butan-2-ylamino]-2,2-dimethylbutanoic acid
CID 122127278
1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642799
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
CID 115863120

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine (CID 63413199) is 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine is CCNC(CCC(C)(C)C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The InChIKey is MFSDJQLNYVEERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-5-19-14(8-9-16(2,3)4)10-12-6-7-13(17)11-15(12)18/h6-7,11,14,19H,5,8-10H2,1-4H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine?
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine has a molecular weight of 302.29 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 63413199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).