methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate

C16H18N2O2 — CID 43730235

IUPACmethyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C16H18N2O2/c1-12-5-3-4-6-13(12)11-17-14-7-9-15(10-8-14)18-16(19)20-2/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyUVXNGBJZDBMGCK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.79
Rot. Bonds4

About methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate

methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate (PubChem CID 43730235) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
PubChem CID43730235
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C16H18N2O2/c1-12-5-3-4-6-13(12)11-17-14-7-9-15(10-8-14)18-16(19)20-2/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyUVXNGBJZDBMGCK-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
CID 60981212
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 61391356
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate (CID 43730235) is methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate is COC(=O)Nc1ccc(NCc2ccccc2C)cc1.
What is the InChIKey of methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate?
The InChIKey is UVXNGBJZDBMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-5-3-4-6-13(12)11-17-14-7-9-15(10-8-14)18-16(19)20-2/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate?
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 3.79, 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-methylphenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 43730235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).