N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline

C17H21NO — CID 43739167

IUPACN-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
SMILESCc1cccc(CNc2ccccc2OC(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)19-17-10-5-4-9-16(17)18-12-15-8-6-7-14(3)11-15/h4-11,13,18H,12H2,1-3H3
InChIKeyCRFZMDZSUAWSJS-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.39
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline

N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline (PubChem CID 43739167) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
PubChem CID43739167
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
SMILESCc1cccc(CNc2ccccc2OC(C)C)c1
InChIInChI=1S/C17H21NO/c1-13(2)19-17-10-5-4-9-16(17)18-12-15-8-6-7-14(3)11-15/h4-11,13,18H,12H2,1-3H3
InChIKeyCRFZMDZSUAWSJS-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155845
N-[(3-methylphenyl)methyl]-3,4-di(propan-2-yloxy)aniline
CID 83961533
4-[(2-propan-2-yloxyanilino)methyl]benzene-1,2-diol
CID 43739197
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
4-fluoro-1-N-[(3-methylphenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592243
N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
CID 20555519
2-(2-ethoxyethoxy)-N-[(3-methylphenyl)methyl]aniline
CID 54801770
2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 61211307
N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232306
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline (CID 43739167) is N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline is Cc1cccc(CNc2ccccc2OC(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline?
The InChIKey is CRFZMDZSUAWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)19-17-10-5-4-9-16(17)18-12-15-8-6-7-14(3)11-15/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline?
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline has a molecular weight of 255.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 43739167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).