3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine

C13H19Cl2N — CID 61000700

IUPAC3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
SMILESCCC(Cc1c(Cl)cccc1Cl)C(C)NC
InChIInChI=1S/C13H19Cl2N/c1-4-10(9(2)16-3)8-11-12(14)6-5-7-13(11)15/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyYIRKNWTVEVCBRZ-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.17
Rot. Bonds5

About 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine

3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine (PubChem CID 61000700) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
PubChem CID61000700
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
SMILESCCC(Cc1c(Cl)cccc1Cl)C(C)NC
InChIInChI=1S/C13H19Cl2N/c1-4-10(9(2)16-3)8-11-12(14)6-5-7-13(11)15/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyYIRKNWTVEVCBRZ-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
CID 61000357
1-(2,6-dichlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013912
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054
2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63520801
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 79574139
3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845376
1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692778
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
CID 63459849
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363305

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine (CID 61000700) is 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine is CCC(Cc1c(Cl)cccc1Cl)C(C)NC.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine?
The InChIKey is YIRKNWTVEVCBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-10(9(2)16-3)8-11-12(14)6-5-7-13(11)15/h5-7,9-10,16H,4,8H2,1-3H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine?
3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine has a molecular weight of 260.21 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine is sourced from PubChem (CID 61000700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).