2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine

C14H17N3 — CID 23104838

IUPAC2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
SMILESCc1cc(NCCc2ccncc2)ccc1N
InChIInChI=1S/C14H17N3/c1-11-10-13(2-3-14(11)15)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyMRBBVNDWAKCUOR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine

2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine (PubChem CID 23104838) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
PubChem CID23104838
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
SMILESCc1cc(NCCc2ccncc2)ccc1N
InChIInChI=1S/C14H17N3/c1-11-10-13(2-3-14(11)15)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyMRBBVNDWAKCUOR-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.63
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-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 61380702
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
4-bromo-3-methoxy-N-(2-pyridin-4-ylethyl)aniline
CID 82868263
3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine
CID 61220223
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 62531809
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine (CID 23104838) is 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine is Cc1cc(NCCc2ccncc2)ccc1N.
What is the InChIKey of 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine?
The InChIKey is MRBBVNDWAKCUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-10-13(2-3-14(11)15)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9,15H2,1H3.
What are the key properties of 2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine?
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.63, 4 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-pyridin-4-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 23104838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).