2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline

C16H21N3 — CID 104749132

IUPAC2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2CN(C)C)cn1
InChIInChI=1S/C16H21N3/c1-13-8-9-14(10-17-13)11-18-16-7-5-4-6-15(16)12-19(2)3/h4-10,18H,11-12H2,1-3H3
InChIKeyFYHFFQUOLSQMFF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.06
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline

2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 104749132) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID104749132
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2CN(C)C)cn1
InChIInChI=1S/C16H21N3/c1-13-8-9-14(10-17-13)11-18-16-7-5-4-6-15(16)12-19(2)3/h4-10,18H,11-12H2,1-3H3
InChIKeyFYHFFQUOLSQMFF-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936614
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
CID 55142270
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
CID 115523780
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869
2-[(dimethylamino)methyl]-N-[(4-nitrophenyl)methyl]aniline
CID 43750052
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
2-cyclopentylsulfanyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756644

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 104749132) is 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline is Cc1ccc(CNc2ccccc2CN(C)C)cn1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is FYHFFQUOLSQMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-8-9-14(10-17-13)11-18-16-7-5-4-6-15(16)12-19(2)3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline?
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 104749132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).