4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline

C17H22N2O — CID 43747201

IUPAC4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H22N2O/c1-19(2)13-14-7-9-16(10-8-14)18-12-15-5-4-6-17(11-15)20-3/h4-11,18H,12-13H2,1-3H3
InChIKeyJAWSFTIPZGYWOR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline

4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline (PubChem CID 43747201) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
PubChem CID43747201
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C17H22N2O/c1-19(2)13-14-7-9-16(10-8-14)18-12-15-5-4-6-17(11-15)20-3/h4-11,18H,12-13H2,1-3H3
InChIKeyJAWSFTIPZGYWOR-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 103827943
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180833
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol
CID 61261950
N-[(2-bromo-5-methoxyphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 103827945
N-[(3-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691927

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline (CID 43747201) is 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2ccc(CN(C)C)cc2)c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline?
The InChIKey is JAWSFTIPZGYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)13-14-7-9-16(10-8-14)18-12-15-5-4-6-17(11-15)20-3/h4-11,18H,12-13H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline?
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43747201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).