4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine

C15H19N3 — CID 43587748

IUPAC4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
SMILESCCN(Cc1ccccc1C)c1ccncc1N
InChIInChI=1S/C15H19N3/c1-3-18(15-8-9-17-10-14(15)16)11-13-7-5-4-6-12(13)2/h4-10H,3,11,16H2,1-2H3
InChIKeyRQFKRBVDGCTQAP-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.00
Rot. Bonds4

About 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine

4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine (PubChem CID 43587748) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
PubChem CID43587748
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
SMILESCCN(Cc1ccccc1C)c1ccncc1N
InChIInChI=1S/C15H19N3/c1-3-18(15-8-9-17-10-14(15)16)11-13-7-5-4-6-12(13)2/h4-10H,3,11,16H2,1-2H3
InChIKeyRQFKRBVDGCTQAP-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
CID 107397217
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
3-(aminomethyl)-N-benzyl-N-ethylpyridin-4-amine
CID 81248963
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 112650618
3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587735

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine (CID 43587748) is 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine is CCN(Cc1ccccc1C)c1ccncc1N.
What is the InChIKey of 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine?
The InChIKey is RQFKRBVDGCTQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-18(15-8-9-17-10-14(15)16)11-13-7-5-4-6-12(13)2/h4-10H,3,11,16H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine?
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 43587748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).