1-(2,5-dichlorophenyl)-4-methylhexan-2-amine

C13H19Cl2N — CID 115863195

IUPAC1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-9(2)6-12(16)8-10-7-11(14)4-5-13(10)15/h4-5,7,9,12H,3,6,8,16H2,1-2H3
InChIKeyPQPPYOJLVLUQKE-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.30
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine

1-(2,5-dichlorophenyl)-4-methylhexan-2-amine (PubChem CID 115863195) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
PubChem CID115863195
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-9(2)6-12(16)8-10-7-11(14)4-5-13(10)15/h4-5,7,9,12H,3,6,8,16H2,1-2H3
InChIKeyPQPPYOJLVLUQKE-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 65321380
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
1-(2,5-dichlorophenyl)pent-4-en-2-amine
CID 116660415
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 65316021
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114865883
1,4-dichloro-2-(2-methylpent-3-ynyl)benzene
CID 83931386
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine (CID 115863195) is 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine is CCC(C)CC(N)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine?
The InChIKey is PQPPYOJLVLUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-9(2)6-12(16)8-10-7-11(14)4-5-13(10)15/h4-5,7,9,12H,3,6,8,16H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine?
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine has a molecular weight of 260.21 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-4-methylhexan-2-amine is sourced from PubChem (CID 115863195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).