methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate

C17H20N2O2 — CID 60981212

IUPACmethyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2cccc(C)c2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-4-6-14(13(12)2)11-18-15-7-9-16(10-8-15)19-17(20)21-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyPZEINKXLIILLSK-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.09
Rot. Bonds4

About methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate

methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate (PubChem CID 60981212) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
PubChem CID60981212
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2cccc(C)c2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-4-6-14(13(12)2)11-18-15-7-9-16(10-8-15)19-17(20)21-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyPZEINKXLIILLSK-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
N-[(2,3-dimethylphenyl)methyl]-4-methoxyaniline
CID 54944362
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 61391356
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate (CID 60981212) is methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate is COC(=O)Nc1ccc(NCc2cccc(C)c2C)cc1.
What is the InChIKey of methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate?
The InChIKey is PZEINKXLIILLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-4-6-14(13(12)2)11-18-15-7-9-16(10-8-15)19-17(20)21-3/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate?
methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 60981212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).