N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline

C19H25NO2 — CID 39422650

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
SMILESCCOc1c(CNc2ccc(C(C)C)cc2)cccc1OC
InChIInChI=1S/C19H25NO2/c1-5-22-19-16(7-6-8-18(19)21-4)13-20-17-11-9-15(10-12-17)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyTXCPFHIOBAKBGA-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.83
Rot. Bonds7

About N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline

N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline (PubChem CID 39422650) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
PubChem CID39422650
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
SMILESCCOc1c(CNc2ccc(C(C)C)cc2)cccc1OC
InChIInChI=1S/C19H25NO2/c1-5-22-19-16(7-6-8-18(19)21-4)13-20-17-11-9-15(10-12-17)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyTXCPFHIOBAKBGA-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline 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

N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 39386959
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206683
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline (CID 39422650) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline is CCOc1c(CNc2ccc(C(C)C)cc2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline?
The InChIKey is TXCPFHIOBAKBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-5-22-19-16(7-6-8-18(19)21-4)13-20-17-11-9-15(10-12-17)14(2)3/h6-12,14,20H,5,13H2,1-4H3.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline has a molecular weight of 299.41 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 39422650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).