1-(2,6-dichlorophenyl)-4-methylpentan-1-amine

C12H17Cl2N — CID 112704553

IUPAC1-(2,6-dichlorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-8(2)6-7-11(15)12-9(13)4-3-5-10(12)14/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyNBUDOOJUQYXAOW-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine

1-(2,6-dichlorophenyl)-4-methylpentan-1-amine (PubChem CID 112704553) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-methylpentan-1-amine
PubChem CID112704553
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(2,6-dichlorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-8(2)6-7-11(15)12-9(13)4-3-5-10(12)14/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyNBUDOOJUQYXAOW-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1S)-4-methyl-1-(2,3,6-trichlorophenyl)pentan-1-amine;hydrochloride
CID 171232410
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
(1S)-1-(3,6-dichloro-2-fluorophenyl)-4-methylpentan-1-amine
CID 171235289
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine
CID 171215609

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine (CID 112704553) is 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine is CC(C)CCC(N)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine?
The InChIKey is NBUDOOJUQYXAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-8(2)6-7-11(15)12-9(13)4-3-5-10(12)14/h3-5,8,11H,6-7,15H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine?
1-(2,6-dichlorophenyl)-4-methylpentan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 112704553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).