N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

C16H20N2O — CID 54807142

IUPACN'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1NCCNc1ccc(C)cc1
InChIInChI=1S/C16H20N2O/c1-13-7-9-14(10-8-13)17-11-12-18-15-5-3-4-6-16(15)19-2/h3-10,17-18H,11-12H2,1-2H3
InChIKeySCTCSUDAEJXWLX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.53
Rot. Bonds6

About N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 54807142) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID54807142
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1NCCNc1ccc(C)cc1
InChIInChI=1S/C16H20N2O/c1-13-7-9-14(10-8-13)17-11-12-18-15-5-3-4-6-16(15)19-2/h3-10,17-18H,11-12H2,1-2H3
InChIKeySCTCSUDAEJXWLX-UHFFFAOYSA-N
XLogP3.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 54807762
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62553756
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54805807
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 54807142) is N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is COc1ccccc1NCCNc1ccc(C)cc1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is SCTCSUDAEJXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-7-9-14(10-8-13)17-11-12-18-15-5-3-4-6-16(15)19-2/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54807142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).