6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine

C13H18Cl3N — CID 107845960

IUPAC6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
SMILESClCCCCCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl3N/c14-7-3-1-2-4-8-17-10-11-5-6-12(15)13(16)9-11/h5-6,9,17H,1-4,7-8,10H2
InChIKeySWURVZVDENVVMA-UHFFFAOYSA-N
MW294.65 g/mol
LogP4.88
Rot. Bonds8

About 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine

6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine (PubChem CID 107845960) has the molecular formula C13H18Cl3N and a molecular weight of 294.65 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
PubChem CID107845960
Molecular FormulaC13H18Cl3N
Molecular Weight294.65 g/mol
Exact Mass293.05
IUPAC Name6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
SMILESClCCCCCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl3N/c14-7-3-1-2-4-8-17-10-11-5-6-12(15)13(16)9-11/h5-6,9,17H,1-4,7-8,10H2
InChIKeySWURVZVDENVVMA-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 54.88
H-Bond Donors ≤ 51
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'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N-[(3,4-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694162
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloropentan-1-amine
CID 107319773
N-benzyl-12-chlorododecan-1-amine
CID 175007443
6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
CID 107845610
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine?
The IUPAC name of 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine (CID 107845960) is 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine.
What is the SMILES notation for 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine?
The canonical SMILES for 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine is ClCCCCCCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine?
The InChIKey is SWURVZVDENVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl3N/c14-7-3-1-2-4-8-17-10-11-5-6-12(15)13(16)9-11/h5-6,9,17H,1-4,7-8,10H2.
What are the key properties of 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine?
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine has a molecular weight of 294.65 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine is sourced from PubChem (CID 107845960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).