2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine

C16H20N2O — CID 55012527

IUPAC2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
SMILESCc1cccc(OCCNc2ccc(N)c(C)c2)c1
InChIInChI=1S/C16H20N2O/c1-12-4-3-5-15(10-12)19-9-8-18-14-6-7-16(17)13(2)11-14/h3-7,10-11,18H,8-9,17H2,1-2H3
InChIKeyIXSGBHLISBFPFJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine

2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine (PubChem CID 55012527) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
PubChem CID55012527
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
SMILESCc1cccc(OCCNc2ccc(N)c(C)c2)c1
InChIInChI=1S/C16H20N2O/c1-12-4-3-5-15(10-12)19-9-8-18-14-6-7-16(17)13(2)11-14/h3-7,10-11,18H,8-9,17H2,1-2H3
InChIKeyIXSGBHLISBFPFJ-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095952
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
5-fluoro-3-N-[2-(3-methylphenoxy)ethyl]benzene-1,3-diamine
CID 55012619
N-[2-(4-bromo-3-methylphenoxy)ethyl]-3-methylaniline
CID 83140916
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
4-bromo-N-[2-(3-bromophenoxy)ethyl]-3-methylaniline
CID 63488959
2-fluoro-4-[2-(3-methylphenoxy)ethylamino]benzenecarbothioamide
CID 115368176
5-chloro-6-fluoro-1-N-[2-(3-methylphenoxy)ethyl]benzene-1,2,4-triamine
CID 103552930
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine (CID 55012527) is 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine is Cc1cccc(OCCNc2ccc(N)c(C)c2)c1.
What is the InChIKey of 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine?
The InChIKey is IXSGBHLISBFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-3-5-15(10-12)19-9-8-18-14-6-7-16(17)13(2)11-14/h3-7,10-11,18H,8-9,17H2,1-2H3.
What are the key properties of 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine?
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 55012527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).