N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C14H23ClN2O — CID 113409328

IUPACN'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1cc(C)cc(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-12-8-13(10-14(15)9-12)11-17(2)6-4-16-5-7-18-3/h8-10,16H,4-7,11H2,1-3H3
InChIKeyPNJMEYWSWBNNOV-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.32
Rot. Bonds8

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

N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 113409328) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID113409328
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1cc(C)cc(Cl)c1
InChIInChI=1S/C14H23ClN2O/c1-12-8-13(10-14(15)9-12)11-17(2)6-4-16-5-7-18-3/h8-10,16H,4-7,11H2,1-3H3
InChIKeyPNJMEYWSWBNNOV-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-bromo-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104851463
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
N'-[(2-bromo-3-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107982204
N'-[(4-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 54989593
N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
CID 113409299
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
N'-[(3-chlorophenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554855
N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine
CID 114279056

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 113409328) is N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)Cc1cc(C)cc(Cl)c1.
What is the InChIKey of N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is PNJMEYWSWBNNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-12-8-13(10-14(15)9-12)11-17(2)6-4-16-5-7-18-3/h8-10,16H,4-7,11H2,1-3H3.
What are the key properties of N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 270.80 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113409328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).