2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine

C13H19Cl2N — CID 62529520

IUPAC2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
SMILESCCCC(CNC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-4-10(9-16-2)7-11-5-6-12(14)8-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyXHFWDCIZNBCHSF-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.17
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine

2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine (PubChem CID 62529520) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
PubChem CID62529520
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
SMILESCCCC(CNC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-4-10(9-16-2)7-11-5-6-12(14)8-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyXHFWDCIZNBCHSF-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

2-[(2,4-dichlorophenyl)methyl]-N-ethylpentan-1-amine
CID 55196979
2-[(3,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62530111
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
CID 113471443
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
1-(2,4-dichlorophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586741
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
1-(2,4-dichlorophenyl)hexan-3-amine
CID 43370461

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine (CID 62529520) is 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine is CCCC(CNC)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine?
The InChIKey is XHFWDCIZNBCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-4-10(9-16-2)7-11-5-6-12(14)8-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine?
2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 62529520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).