2-methoxy-N-methyl-5-(2-methylpropyl)aniline

C12H19NO — CID 138652047

IUPAC2-methoxy-N-methyl-5-(2-methylpropyl)aniline
SMILESCNc1cc(CC(C)C)ccc1OC
InChIInChI=1S/C12H19NO/c1-9(2)7-10-5-6-12(14-4)11(8-10)13-3/h5-6,8-9,13H,7H2,1-4H3
InChIKeyATUQMDWRQGDTJC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.94
Rot. Bonds4

About 2-methoxy-N-methyl-5-(2-methylpropyl)aniline

2-methoxy-N-methyl-5-(2-methylpropyl)aniline (PubChem CID 138652047) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-(2-methylpropyl)aniline
PubChem CID138652047
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methoxy-N-methyl-5-(2-methylpropyl)aniline
SMILESCNc1cc(CC(C)C)ccc1OC
InChIInChI=1S/C12H19NO/c1-9(2)7-10-5-6-12(14-4)11(8-10)13-3/h5-6,8-9,13H,7H2,1-4H3
InChIKeyATUQMDWRQGDTJC-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
5-(1-fluoroethyl)-2-methoxy-N-methylaniline
CID 84659165
2-[2-methoxy-4-(2-methylpropyl)phenyl]acetonitrile
CID 54516875
5-iodo-2-methoxy-N-methylaniline
CID 82267247
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
2-methoxy-N-methyl-4-(propan-2-yloxymethyl)aniline
CID 174335171
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-(2-methylpropyl)aniline?
The IUPAC name of 2-methoxy-N-methyl-5-(2-methylpropyl)aniline (CID 138652047) is 2-methoxy-N-methyl-5-(2-methylpropyl)aniline.
What is the SMILES notation for 2-methoxy-N-methyl-5-(2-methylpropyl)aniline?
The canonical SMILES for 2-methoxy-N-methyl-5-(2-methylpropyl)aniline is CNc1cc(CC(C)C)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-(2-methylpropyl)aniline?
The InChIKey is ATUQMDWRQGDTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)7-10-5-6-12(14-4)11(8-10)13-3/h5-6,8-9,13H,7H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-5-(2-methylpropyl)aniline?
2-methoxy-N-methyl-5-(2-methylpropyl)aniline has a molecular weight of 193.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-(2-methylpropyl)aniline is sourced from PubChem (CID 138652047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).