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

C16H21N3O — CID 114936614

IUPAC2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2CN(C)C)cn1
InChIInChI=1S/C16H21N3O/c1-19(2)12-14-6-4-5-7-15(14)17-10-13-8-9-16(20-3)18-11-13/h4-9,11,17H,10,12H2,1-3H3
InChIKeyZJJPIXJDYQEAKZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds6

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

2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline (PubChem CID 114936614) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
PubChem CID114936614
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccccc2CN(C)C)cn1
InChIInChI=1S/C16H21N3O/c1-19(2)12-14-6-4-5-7-15(14)17-10-13-8-9-16(20-3)18-11-13/h4-9,11,17H,10,12H2,1-3H3
InChIKeyZJJPIXJDYQEAKZ-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline
CID 114936575
N-[(3-bromo-4-methoxyphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43792047
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
CID 115523780
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
2-[(dimethylamino)methyl]-N-[(4-nitrophenyl)methyl]aniline
CID 43750052
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline (CID 114936614) is 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline is COc1ccc(CNc2ccccc2CN(C)C)cn1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The InChIKey is ZJJPIXJDYQEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(2)12-14-6-4-5-7-15(14)17-10-13-8-9-16(20-3)18-11-13/h4-9,11,17H,10,12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114936614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).