N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline

C16H19NO — CID 775241

IUPACN-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
SMILESCOc1ccc(CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-12-4-7-15(10-13(12)2)17-11-14-5-8-16(18-3)9-6-14/h4-10,17H,11H2,1-3H3
InChIKeyMVNSNCXDDQQHJD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.92
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline

N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline (PubChem CID 775241) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
PubChem CID775241
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
SMILESCOc1ccc(CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-12-4-7-15(10-13(12)2)17-11-14-5-8-16(18-3)9-6-14/h4-10,17H,11H2,1-3H3
InChIKeyMVNSNCXDDQQHJD-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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
2-N-(3,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918469
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125185
N-[(3-methoxyphenyl)methyl]-3,4-dimethylaniline;oxalic acid
CID 17367859
N-[(3-methoxy-5-nitrophenyl)methyl]-3,4-dimethylaniline
CID 81145275
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
N-[(4-methoxyphenyl)methyl]-4-methyl-3-(5-methyltetrazol-1-yl)aniline
CID 75430415
N'-(3-chloro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810118

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline (CID 775241) is N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline is COc1ccc(CNc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline?
The InChIKey is MVNSNCXDDQQHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-4-7-15(10-13(12)2)17-11-14-5-8-16(18-3)9-6-14/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline?
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline 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-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 775241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).