N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine

C15H23Cl2N — CID 43108567

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-10(2)5-6-11(3)18-12(4)13-7-8-14(16)15(17)9-13/h7-12,18H,5-6H2,1-4H3
InChIKeyOBIGUYDVURCPMS-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.47
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine

N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 43108567) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
PubChem CID43108567
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-10(2)5-6-11(3)18-12(4)13-7-8-14(16)15(17)9-13/h7-12,18H,5-6H2,1-4H3
InChIKeyOBIGUYDVURCPMS-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
5-methyl-N-(1-naphthalen-2-ylethyl)hexan-2-amine
CID 43094860
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147148
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
N-[1-(3-chloro-4-fluorophenyl)ethyl]pentan-2-amine
CID 43093581
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115722751
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine (CID 43108567) is N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is OBIGUYDVURCPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-10(2)5-6-11(3)18-12(4)13-7-8-14(16)15(17)9-13/h7-12,18H,5-6H2,1-4H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine?
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 288.26 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43108567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).