N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline

C18H23NO3 — CID 39424379

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
SMILESCOc1ccc(OC)c(CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H23NO3/c1-13(2)22-16-7-5-15(6-8-16)19-12-14-11-17(20-3)9-10-18(14)21-4/h5-11,13,19H,12H2,1-4H3
InChIKeySHEVFCUXONLIKW-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.10
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline

N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline (PubChem CID 39424379) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
PubChem CID39424379
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
SMILESCOc1ccc(OC)c(CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H23NO3/c1-13(2)22-16-7-5-15(6-8-16)19-12-14-11-17(20-3)9-10-18(14)21-4/h5-11,13,19H,12H2,1-4H3
InChIKeySHEVFCUXONLIKW-UHFFFAOYSA-N
XLogP4.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808245
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818380
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline (CID 39424379) is N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline is COc1ccc(OC)c(CNc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline?
The InChIKey is SHEVFCUXONLIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)22-16-7-5-15(6-8-16)19-12-14-11-17(20-3)9-10-18(14)21-4/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline?
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline has a molecular weight of 301.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 39424379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).