2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline

C18H23NO2 — CID 28543653

IUPAC2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCOc1ccc(OC)c(NCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)15-7-5-14(6-8-15)12-19-17-11-16(20-3)9-10-18(17)21-4/h5-11,13,19H,12H2,1-4H3
InChIKeyZBFPOHKTZGVSSN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.44
Rot. Bonds6

About 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline

2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 28543653) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
PubChem CID28543653
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCOc1ccc(OC)c(NCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)15-7-5-14(6-8-15)12-19-17-11-16(20-3)9-10-18(17)21-4/h5-11,13,19H,12H2,1-4H3
InChIKeyZBFPOHKTZGVSSN-UHFFFAOYSA-N
XLogP4.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
CID 107685258
2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54796992
2,5-dimethoxy-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
CID 54856394
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline (CID 28543653) is 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline is COc1ccc(OC)c(NCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is ZBFPOHKTZGVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)15-7-5-14(6-8-15)12-19-17-11-16(20-3)9-10-18(17)21-4/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline?
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 28543653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).