N-benzyl-3-(methoxymethyl)aniline

C15H17NO — CID 43672166

IUPACN-benzyl-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-17-12-14-8-5-9-15(10-14)16-11-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
InChIKeyBWAZRZHVSRHBOF-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.45
Rot. Bonds5

About N-benzyl-3-(methoxymethyl)aniline

N-benzyl-3-(methoxymethyl)aniline (PubChem CID 43672166) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-benzyl-3-(methoxymethyl)aniline
PubChem CID43672166
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-benzyl-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-17-12-14-8-5-9-15(10-14)16-11-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
InChIKeyBWAZRZHVSRHBOF-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672204
2-fluoro-4-[[3-(methoxymethyl)anilino]methyl]benzoic acid
CID 106699900
3-(methoxymethyl)-N-methylaniline
CID 23080905
CID 163931246
CID 163931246
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(methoxymethyl)aniline?
The IUPAC name of N-benzyl-3-(methoxymethyl)aniline (CID 43672166) is N-benzyl-3-(methoxymethyl)aniline.
What is the SMILES notation for N-benzyl-3-(methoxymethyl)aniline?
The canonical SMILES for N-benzyl-3-(methoxymethyl)aniline is COCc1cccc(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(methoxymethyl)aniline?
The InChIKey is BWAZRZHVSRHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-12-14-8-5-9-15(10-14)16-11-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3.
What are the key properties of N-benzyl-3-(methoxymethyl)aniline?
N-benzyl-3-(methoxymethyl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).