N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine

C10H14Cl2N2O — CID 115226065

IUPACN'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
SMILESCOc1c(Cl)cc(Cl)cc1CCNCN
InChIInChI=1S/C10H14Cl2N2O/c1-15-10-7(2-3-14-6-13)4-8(11)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3
InChIKeyZJRBAGZGTXACEQ-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.05
Rot. Bonds5

About N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine

N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine (PubChem CID 115226065) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
PubChem CID115226065
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC NameN'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
SMILESCOc1c(Cl)cc(Cl)cc1CCNCN
InChIInChI=1S/C10H14Cl2N2O/c1-15-10-7(2-3-14-6-13)4-8(11)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3
InChIKeyZJRBAGZGTXACEQ-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523
N-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]carbamoyl bromide
CID 115193935
4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924959
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260966
5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
CID 83941161
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propanenitrile
CID 115231106
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine?
The IUPAC name of N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine (CID 115226065) is N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine.
What is the SMILES notation for N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine?
The canonical SMILES for N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine is COc1c(Cl)cc(Cl)cc1CCNCN.
What is the InChIKey of N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine?
The InChIKey is ZJRBAGZGTXACEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-15-10-7(2-3-14-6-13)4-8(11)5-9(10)12/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine?
N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine has a molecular weight of 249.14 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine is sourced from PubChem (CID 115226065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).