4-[dimethylamino(pyridin-3-yl)methyl]aniline

C14H17N3 — CID 116907051

IUPAC4-[dimethylamino(pyridin-3-yl)methyl]aniline
SMILESCN(C)C(c1ccc(N)cc1)c1cccnc1
InChIInChI=1S/C14H17N3/c1-17(2)14(12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h3-10,14H,15H2,1-2H3
InChIKeyBOEUXYJAKSNREZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.31
Rot. Bonds3

About 4-[dimethylamino(pyridin-3-yl)methyl]aniline

4-[dimethylamino(pyridin-3-yl)methyl]aniline (PubChem CID 116907051) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[dimethylamino(pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[dimethylamino(pyridin-3-yl)methyl]aniline
PubChem CID116907051
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[dimethylamino(pyridin-3-yl)methyl]aniline
SMILESCN(C)C(c1ccc(N)cc1)c1cccnc1
InChIInChI=1S/C14H17N3/c1-17(2)14(12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h3-10,14H,15H2,1-2H3
InChIKeyBOEUXYJAKSNREZ-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[dimethylamino(pyridin-4-yl)methyl]aniline
CID 116907052
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine
CID 154770051
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
CID 130465955
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine
CID 116905090
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide
CID 82020986
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino(pyridin-3-yl)methyl]aniline?
The IUPAC name of 4-[dimethylamino(pyridin-3-yl)methyl]aniline (CID 116907051) is 4-[dimethylamino(pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 4-[dimethylamino(pyridin-3-yl)methyl]aniline?
The canonical SMILES for 4-[dimethylamino(pyridin-3-yl)methyl]aniline is CN(C)C(c1ccc(N)cc1)c1cccnc1.
What is the InChIKey of 4-[dimethylamino(pyridin-3-yl)methyl]aniline?
The InChIKey is BOEUXYJAKSNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)14(12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h3-10,14H,15H2,1-2H3.
What are the key properties of 4-[dimethylamino(pyridin-3-yl)methyl]aniline?
4-[dimethylamino(pyridin-3-yl)methyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino(pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 116907051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).