2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline

C18H23NO2 — CID 61211307

IUPAC2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1cccc(OC(C)C)c1
InChIInChI=1S/C18H23NO2/c1-13(2)21-16-7-5-6-15(11-16)12-19-17-9-8-14(3)10-18(17)20-4/h5-11,13,19H,12H2,1-4H3
InChIKeyMQKNPJAZPPEFKX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.40
Rot. Bonds6

About 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline

2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 61211307) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
PubChem CID61211307
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
SMILESCOc1cc(C)ccc1NCc1cccc(OC(C)C)c1
InChIInChI=1S/C18H23NO2/c1-13(2)21-16-7-5-6-15(11-16)12-19-17-9-8-14(3)10-18(17)20-4/h5-11,13,19H,12H2,1-4H3
InChIKeyMQKNPJAZPPEFKX-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

2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
2-bromo-5-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 82761435
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
3-bromo-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 107630013
2,5-dibromo-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 63446018
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline (CID 61211307) is 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline is COc1cc(C)ccc1NCc1cccc(OC(C)C)c1.
What is the InChIKey of 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is MQKNPJAZPPEFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)21-16-7-5-6-15(11-16)12-19-17-9-8-14(3)10-18(17)20-4/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
2-methoxy-4-methyl-N-[(3-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-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 61211307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).