3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline

C15H19N3 — CID 105146180

IUPAC3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
SMILESCc1ccc(C(N)c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C15H19N3/c1-11-7-8-13(10-17-11)15(16)12-5-4-6-14(9-12)18(2)3/h4-10,15H,16H2,1-3H3
InChIKeyXBFBGKPERSTOKX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.50
Rot. Bonds3

About 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline

3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline (PubChem CID 105146180) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
PubChem CID105146180
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
SMILESCc1ccc(C(N)c2cccc(N(C)C)c2)cn1
InChIInChI=1S/C15H19N3/c1-11-7-8-13(10-17-11)15(16)12-5-4-6-14(9-12)18(2)3/h4-10,15H,16H2,1-3H3
InChIKeyXBFBGKPERSTOKX-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline
CID 105172596
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105169951
(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanamine
CID 55164666
(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854907
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline (CID 105146180) is 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline is Cc1ccc(C(N)c2cccc(N(C)C)c2)cn1.
What is the InChIKey of 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline?
The InChIKey is XBFBGKPERSTOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-7-8-13(10-17-11)15(16)12-5-4-6-14(9-12)18(2)3/h4-10,15H,16H2,1-3H3.
What are the key properties of 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline?
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline has a molecular weight of 241.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105146180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).