5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine

C13H19Cl2N — CID 61416820

IUPAC5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCCl)Cc1ccccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-16(10-6-2-5-9-14)11-12-7-3-4-8-13(12)15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyRYNJRAFQULTNND-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.18
Rot. Bonds7

About 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine

5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine (PubChem CID 61416820) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
PubChem CID61416820
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
SMILESCN(CCCCCCl)Cc1ccccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-16(10-6-2-5-9-14)11-12-7-3-4-8-13(12)15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyRYNJRAFQULTNND-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186
N-[(2-chlorophenyl)methyl]-N-methylpent-4-yn-1-amine
CID 115872604
2-(2-chloroethoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 63666306
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
5-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107205014
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine (CID 61416820) is 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine is CN(CCCCCCl)Cc1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine?
The InChIKey is RYNJRAFQULTNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-16(10-6-2-5-9-14)11-12-7-3-4-8-13(12)15/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine?
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 61416820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).