1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine

C15H23Cl2N — CID 43486466

IUPAC1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-4-6-7-11(5-2)15(18-3)12-8-9-13(16)14(17)10-12/h8-11,15,18H,4-7H2,1-3H3
InChIKeyBPLBBYGTLBRHQK-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.47
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine

1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine (PubChem CID 43486466) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
PubChem CID43486466
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-4-6-7-11(5-2)15(18-3)12-8-9-13(16)14(17)10-12/h8-11,15,18H,4-7H2,1-3H3
InChIKeyBPLBBYGTLBRHQK-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
CID 116957715
[1-(2-chloro-5-fluorophenyl)-2-ethylhexyl]hydrazine
CID 105398110
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine (CID 43486466) is 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine?
The InChIKey is BPLBBYGTLBRHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-4-6-7-11(5-2)15(18-3)12-8-9-13(16)14(17)10-12/h8-11,15,18H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine?
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 43486466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).