N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

C16H20N2O — CID 54806936

IUPACN'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccc(C)cc2)c1
InChIInChI=1S/C16H20N2O/c1-13-6-8-14(9-7-13)17-10-11-18-15-4-3-5-16(12-15)19-2/h3-9,12,17-18H,10-11H2,1-2H3
InChIKeyHWAGFINPELFLPF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.53
Rot. Bonds6

About N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 54806936) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID54806936
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccc(C)cc2)c1
InChIInChI=1S/C16H20N2O/c1-13-6-8-14(9-7-13)17-10-11-18-15-4-3-5-16(12-15)19-2/h3-9,12,17-18H,10-11H2,1-2H3
InChIKeyHWAGFINPELFLPF-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'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N-hexyl-3-methoxyaniline
CID 15500485
ethane;N-ethyl-3-methoxyaniline
CID 142222302
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096032
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 54806936) is N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is COc1cccc(NCCNc2ccc(C)cc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HWAGFINPELFLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-6-8-14(9-7-13)17-10-11-18-15-4-3-5-16(12-15)19-2/h3-9,12,17-18H,10-11H2,1-2H3.
What are the key properties of N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
N'-(3-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'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).