2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine

C15H18N2O — CID 115124269

IUPAC2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
SMILESCCc1ccc(OC)c(Nc2ccccc2N)c1
InChIInChI=1S/C15H18N2O/c1-3-11-8-9-15(18-2)14(10-11)17-13-7-5-4-6-12(13)16/h4-10,17H,3,16H2,1-2H3
InChIKeyRNLPYCBDYBHNCW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.58
Rot. Bonds4

About 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine

2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine (PubChem CID 115124269) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
PubChem CID115124269
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
SMILESCCc1ccc(OC)c(Nc2ccccc2N)c1
InChIInChI=1S/C15H18N2O/c1-3-11-8-9-15(18-2)14(10-11)17-13-7-5-4-6-12(13)16/h4-10,17H,3,16H2,1-2H3
InChIKeyRNLPYCBDYBHNCW-UHFFFAOYSA-N
XLogP3.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-ethyl-2-methoxyphenyl)-2-fluorobenzene-1,4-diamine
CID 115123751
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide
CID 162056976
2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001518
5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
2-(5-ethyl-2-methoxyanilino)ethanethiol
CID 115223657
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
ethyl 2-(2-aminoanilino)benzoate
CID 131846844

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine (CID 115124269) is 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine is CCc1ccc(OC)c(Nc2ccccc2N)c1.
What is the InChIKey of 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine?
The InChIKey is RNLPYCBDYBHNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-11-8-9-15(18-2)14(10-11)17-13-7-5-4-6-12(13)16/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine?
2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115124269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).