N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline

C19H25NO2 — CID 39422766

IUPACN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline
SMILESCOc1cc(CNc2cccc(C)c2)ccc1OCC(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)13-22-18-9-8-16(11-19(18)21-4)12-20-17-7-5-6-15(3)10-17/h5-11,14,20H,12-13H2,1-4H3
InChIKeyHKSYUYWLRBTTKB-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.65
Rot. Bonds7

About N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline

N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline (PubChem CID 39422766) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline
PubChem CID39422766
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline
SMILESCOc1cc(CNc2cccc(C)c2)ccc1OCC(C)C
InChIInChI=1S/C19H25NO2/c1-14(2)13-22-18-9-8-16(11-19(18)21-4)12-20-17-7-5-6-15(3)10-17/h5-11,14,20H,12-13H2,1-4H3
InChIKeyHKSYUYWLRBTTKB-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline 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

3-fluoro-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39430250
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
CID 39455896
N-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-3,4-dimethylaniline
CID 39455864
N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126128630
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897214
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
CID 43769003
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline?
The IUPAC name of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline (CID 39422766) is N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline.
What is the SMILES notation for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline?
The canonical SMILES for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline is COc1cc(CNc2cccc(C)c2)ccc1OCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline?
The InChIKey is HKSYUYWLRBTTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(2)13-22-18-9-8-16(11-19(18)21-4)12-20-17-7-5-6-15(3)10-17/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline?
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline has a molecular weight of 299.41 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline is sourced from PubChem (CID 39422766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).