2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine

C15H18N2 — CID 175547385

IUPAC2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccccc1CCc1cc(N)ccc1N
InChIInChI=1S/C15H18N2/c1-11-4-2-3-5-12(11)6-7-13-10-14(16)8-9-15(13)17/h2-5,8-10H,6-7,16-17H2,1H3
InChIKeyREVNQIFAXSOHFI-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.94
Rot. Bonds3

About 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine

2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 175547385) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
PubChem CID175547385
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccccc1CCc1cc(N)ccc1N
InChIInChI=1S/C15H18N2/c1-11-4-2-3-5-12(11)6-7-13-10-14(16)8-9-15(13)17/h2-5,8-10H,6-7,16-17H2,1H3
InChIKeyREVNQIFAXSOHFI-UHFFFAOYSA-N
XLogP2.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170
3-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 43303257
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-(2,5-diaminophenyl)ethanol
CID 160672831
3-(2-aminoethyl)-4-methylaniline
CID 83384141
benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
CID 174915538
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
2-[(2,5-diaminophenyl)methyl]phenol
CID 59646189
3-[(2-methylphenyl)methyl]aniline
CID 116925822
2-(2-trimethylsilylethyl)benzene-1,4-diamine;dihydrochloride
CID 22222846
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
4-chloro-2-[(2-methylphenyl)methyl]aniline
CID 105490375

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine (CID 175547385) is 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine is Cc1ccccc1CCc1cc(N)ccc1N.
What is the InChIKey of 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is REVNQIFAXSOHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-4-2-3-5-12(11)6-7-13-10-14(16)8-9-15(13)17/h2-5,8-10H,6-7,16-17H2,1H3.
What are the key properties of 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 175547385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).