2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine

C17H29NO — CID 112610190

IUPAC2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCCC(C)COc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-13(2)12-19-16-14(3)9-8-10-15(16)11-18-17(4,5)6/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyXZPNYPIYGRBGOY-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.31
Rot. Bonds6

About 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine (PubChem CID 112610190) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
PubChem CID112610190
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCCC(C)COc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-13(2)12-19-16-14(3)9-8-10-15(16)11-18-17(4,5)6/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyXZPNYPIYGRBGOY-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 112610248
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
N-[[3-bromo-2-(2-ethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 82925959
5-[2-[(tert-butylamino)methyl]-6-methylphenoxy]pentanenitrile
CID 115954209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine (CID 112610190) is 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine is CCC(C)COc1c(C)cccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
The InChIKey is XZPNYPIYGRBGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-13(2)12-19-16-14(3)9-8-10-15(16)11-18-17(4,5)6/h8-10,13,18H,7,11-12H2,1-6H3.
What are the key properties of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 112610190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).