2-methoxy-4-methyl-N-(3-methylbutyl)aniline

C13H21NO — CID 60930975

IUPAC2-methoxy-4-methyl-N-(3-methylbutyl)aniline
SMILESCOc1cc(C)ccc1NCCC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)7-8-14-12-6-5-11(3)9-13(12)15-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyZWJCNDAKEFPGRP-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.46
Rot. Bonds5

About 2-methoxy-4-methyl-N-(3-methylbutyl)aniline

2-methoxy-4-methyl-N-(3-methylbutyl)aniline (PubChem CID 60930975) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(3-methylbutyl)aniline
PubChem CID60930975
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methoxy-4-methyl-N-(3-methylbutyl)aniline
SMILESCOc1cc(C)ccc1NCCC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)7-8-14-12-6-5-11(3)9-13(12)15-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyZWJCNDAKEFPGRP-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
CID 63451142
2-methoxy-N-(3-methylbutyl)-4-nitroaniline
CID 43720047
2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 61211307
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-methoxy-4-methyl-N-(3-methylbutyl)aniline (CID 60930975) is 2-methoxy-4-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-(3-methylbutyl)aniline is COc1cc(C)ccc1NCCC(C)C.
What is the InChIKey of 2-methoxy-4-methyl-N-(3-methylbutyl)aniline?
The InChIKey is ZWJCNDAKEFPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)7-8-14-12-6-5-11(3)9-13(12)15-4/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-(3-methylbutyl)aniline?
2-methoxy-4-methyl-N-(3-methylbutyl)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 60930975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).