N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline

C16H19NO — CID 54944362

IUPACN-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cccc(C)c2C)cc1
InChIInChI=1S/C16H19NO/c1-12-5-4-6-14(13(12)2)11-17-15-7-9-16(18-3)10-8-15/h4-10,17H,11H2,1-3H3
InChIKeyCUXXTXSPFGRQNL-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.92
Rot. Bonds4

About N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline

N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline (PubChem CID 54944362) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
PubChem CID54944362
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2cccc(C)c2C)cc1
InChIInChI=1S/C16H19NO/c1-12-5-4-6-14(13(12)2)11-17-15-7-9-16(18-3)10-8-15/h4-10,17H,11H2,1-3H3
InChIKeyCUXXTXSPFGRQNL-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
CID 60981212
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 54805936
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
CID 55198820
4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266
4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline
CID 168969368
N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 62809302
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline (CID 54944362) is N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline is COc1ccc(NCc2cccc(C)c2C)cc1.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline?
The InChIKey is CUXXTXSPFGRQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-5-4-6-14(13(12)2)11-17-15-7-9-16(18-3)10-8-15/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline?
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline has a molecular weight of 241.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline is sourced from PubChem (CID 54944362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).