N-[(3-methoxyphenyl)methyl]-4-methylaniline

C15H17NO — CID 23255337

IUPACN-[(3-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1cccc(CNc2ccc(C)cc2)c1
InChIInChI=1S/C15H17NO/c1-12-6-8-14(9-7-12)16-11-13-4-3-5-15(10-13)17-2/h3-10,16H,11H2,1-2H3
InChIKeyFJVUJGQMOPEACB-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.62
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-4-methylaniline

N-[(3-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 23255337) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-methylaniline
PubChem CID23255337
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1cccc(CNc2ccc(C)cc2)c1
InChIInChI=1S/C15H17NO/c1-12-6-8-14(9-7-12)16-11-13-4-3-5-15(10-13)17-2/h3-10,16H,11H2,1-2H3
InChIKeyFJVUJGQMOPEACB-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N-[(3-methoxyphenyl)methyl]-3-methyl-4-nitroaniline
CID 47264174
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
N-[(3-methoxyphenyl)methyl]-3,4-dimethylaniline;oxalic acid
CID 17367859
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methylaniline (CID 23255337) is N-[(3-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-methylaniline is COc1cccc(CNc2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is FJVUJGQMOPEACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-6-8-14(9-7-12)16-11-13-4-3-5-15(10-13)17-2/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-methylaniline?
N-[(3-methoxyphenyl)methyl]-4-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 23255337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).