N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline

C15H19N3 — CID 115212846

IUPACN-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
SMILESCNc1ccc(CNCCc2ccncc2)cc1
InChIInChI=1S/C15H19N3/c1-16-15-4-2-14(3-5-15)12-18-11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18H,8,11-12H2,1H3
InChIKeyUKXSCENWXNWWOW-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline

N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline (PubChem CID 115212846) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
PubChem CID115212846
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
SMILESCNc1ccc(CNCCc2ccncc2)cc1
InChIInChI=1S/C15H19N3/c1-16-15-4-2-14(3-5-15)12-18-11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18H,8,11-12H2,1H3
InChIKeyUKXSCENWXNWWOW-UHFFFAOYSA-N
XLogP2.46
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
CID 115212835
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 104760595
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline?
The IUPAC name of N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline (CID 115212846) is N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline.
What is the SMILES notation for N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline?
The canonical SMILES for N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline is CNc1ccc(CNCCc2ccncc2)cc1.
What is the InChIKey of N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline?
The InChIKey is UKXSCENWXNWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-15-4-2-14(3-5-15)12-18-11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18H,8,11-12H2,1H3.
What are the key properties of N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline?
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline has a molecular weight of 241.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline is sourced from PubChem (CID 115212846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).