2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline

C18H23NO2 — CID 39386889

IUPAC2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccccc1OC(C)C
InChIInChI=1S/C18H23NO2/c1-13(2)21-17-8-6-5-7-15(17)12-19-16-11-14(3)9-10-18(16)20-4/h5-11,13,19H,12H2,1-4H3
InChIKeyRGEPCGTYDVJKHX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.40
Rot. Bonds6

About 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline

2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 39386889) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
PubChem CID39386889
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1ccccc1OC(C)C
InChIInChI=1S/C18H23NO2/c1-13(2)21-17-8-6-5-7-15(17)12-19-16-11-14(3)9-10-18(16)20-4/h5-11,13,19H,12H2,1-4H3
InChIKeyRGEPCGTYDVJKHX-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39422604
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
2,6-dibromo-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773543
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline (CID 39386889) is 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline is COc1ccc(C)cc1NCc1ccccc1OC(C)C.
What is the InChIKey of 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is RGEPCGTYDVJKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)21-17-8-6-5-7-15(17)12-19-16-11-14(3)9-10-18(16)20-4/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 39386889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).