N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine

C10H14Cl2N2 — CID 91353491

IUPACN'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-13-2-3-14-7-8-4-9(11)6-10(12)5-8/h4-6,13-14H,2-3,7H2,1H3
InChIKeyILMKNFUCOROTFM-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.30
Rot. Bonds5

About N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine

N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 91353491) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID91353491
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC NameN'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCNCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-13-2-3-14-7-8-4-9(11)6-10(12)5-8/h4-6,13-14H,2-3,7H2,1H3
InChIKeyILMKNFUCOROTFM-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
2-[(3,5-dichlorophenyl)methylamino]-N-methylethanesulfonamide
CID 102674934
N'-[(3-chloro-4-fluorophenyl)methyl]-N-methylethane-1,2-diamine;ethane
CID 144872416
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(3,5-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 54860881
N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82941583
N'-[(3-bromo-5-chlorophenyl)methyl]ethane-1,2-diamine
CID 107938708
1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
CID 119972960
N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491413
1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
CID 84659368
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine (CID 91353491) is N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine is CNCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is ILMKNFUCOROTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-13-2-3-14-7-8-4-9(11)6-10(12)5-8/h4-6,13-14H,2-3,7H2,1H3.
What are the key properties of N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine?
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 91353491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).