6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine

C14H21Cl2N — CID 55192519

IUPAC6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
SMILESCN(CCCCCCCl)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-17(10-5-3-2-4-9-15)12-13-7-6-8-14(16)11-13/h6-8,11H,2-5,9-10,12H2,1H3
InChIKeyWKUSUEYRLFFMDJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.57
Rot. Bonds8

About 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine

6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine (PubChem CID 55192519) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
PubChem CID55192519
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
SMILESCN(CCCCCCCl)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-17(10-5-3-2-4-9-15)12-13-7-6-8-14(16)11-13/h6-8,11H,2-5,9-10,12H2,1H3
InChIKeyWKUSUEYRLFFMDJ-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.57
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'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
N-[(3-bromophenyl)methyl]-5-chloro-N-methylpentan-1-amine
CID 61416596
6-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709872
2-[6-[(3-chlorophenyl)methyl-methylamino]hexyl]isoindole-1,3-dione;hydrochloride
CID 118729302
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-N-methylpentan-1-amine
CID 107204995
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine?
The IUPAC name of 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine (CID 55192519) is 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine.
What is the SMILES notation for 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine?
The canonical SMILES for 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine is CN(CCCCCCCl)Cc1cccc(Cl)c1.
What is the InChIKey of 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine?
The InChIKey is WKUSUEYRLFFMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-17(10-5-3-2-4-9-15)12-13-7-6-8-14(16)11-13/h6-8,11H,2-5,9-10,12H2,1H3.
What are the key properties of 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine?
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine is sourced from PubChem (CID 55192519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).