4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline

C14H17N3 — CID 43458236

IUPAC4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccccn1
InChIInChI=1S/C14H17N3/c1-17(11-14-4-2-3-9-16-14)10-12-5-7-13(15)8-6-12/h2-9H,10-11,15H2,1H3
InChIKeySOSCQVZMTVLPAK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.30
Rot. Bonds4

About 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline

4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline (PubChem CID 43458236) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
PubChem CID43458236
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1ccccn1
InChIInChI=1S/C14H17N3/c1-17(11-14-4-2-3-9-16-14)10-12-5-7-13(15)8-6-12/h2-9H,10-11,15H2,1H3
InChIKeySOSCQVZMTVLPAK-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442
4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913060
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 54971683
3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 107208235

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline (CID 43458236) is 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline is CN(Cc1ccc(N)cc1)Cc1ccccn1.
What is the InChIKey of 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
The InChIKey is SOSCQVZMTVLPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(11-14-4-2-3-9-16-14)10-12-5-7-13(15)8-6-12/h2-9H,10-11,15H2,1H3.
What are the key properties of 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline?
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43458236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).