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

C13H19Cl2N — CID 63528315

IUPAC1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
SMILESCCCC(C)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-3-4-9(2)13(16)8-10-5-6-11(14)12(15)7-10/h5-7,9,13H,3-4,8,16H2,1-2H3
InChIKeyISQDSSOQYGOVLR-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.30
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-methylhexan-2-amine (PubChem CID 63528315) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
PubChem CID63528315
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
SMILESCCCC(C)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-3-4-9(2)13(16)8-10-5-6-11(14)12(15)7-10/h5-7,9,13H,3-4,8,16H2,1-2H3
InChIKeyISQDSSOQYGOVLR-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-bromo-3-methylhexyl)-1,2-dichlorobenzene
CID 63529922
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
CID 66034318
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
2-[(3,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62530111
1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
CID 115843392
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine (CID 63528315) is 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine is CCCC(C)C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine?
The InChIKey is ISQDSSOQYGOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-4-9(2)13(16)8-10-5-6-11(14)12(15)7-10/h5-7,9,13H,3-4,8,16H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methylhexan-2-amine?
1-(3,4-dichlorophenyl)-3-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-(3,4-dichlorophenyl)-3-methylhexan-2-amine is sourced from PubChem (CID 63528315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).