5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine

C15H19N3 — CID 55046705

IUPAC5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1ccc(N)nc1)c1ccc(C)cc1
InChIInChI=1S/C15H19N3/c1-3-18(14-7-4-12(2)5-8-14)11-13-6-9-15(16)17-10-13/h4-10H,3,11H2,1-2H3,(H2,16,17)
InChIKeyASLLAMVBEZXCPO-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.00
Rot. Bonds4

About 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine

5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine (PubChem CID 55046705) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine
PubChem CID55046705
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1ccc(N)nc1)c1ccc(C)cc1
InChIInChI=1S/C15H19N3/c1-3-18(14-7-4-12(2)5-8-14)11-13-6-9-15(16)17-10-13/h4-10H,3,11H2,1-2H3,(H2,16,17)
InChIKeyASLLAMVBEZXCPO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 62183230
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
CID 59639048
N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline
CID 59805391
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
CID 166855419
N-ethyl-5-[(N-ethylanilino)methyl]pyridin-2-amine
CID 62182688
4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
CID 65476799
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903

Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine?
The IUPAC name of 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine (CID 55046705) is 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine is CCN(Cc1ccc(N)nc1)c1ccc(C)cc1.
What is the InChIKey of 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine?
The InChIKey is ASLLAMVBEZXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-18(14-7-4-12(2)5-8-14)11-13-6-9-15(16)17-10-13/h4-10H,3,11H2,1-2H3,(H2,16,17).
What are the key properties of 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine?
5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine 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 5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 55046705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).