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

C17H29NO — CID 55192326

IUPAC2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
SMILESCCCC(C)COc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-8-14(2)13-19-16-10-7-9-15(11-16)12-18-17(3,4)5/h7,9-11,14,18H,6,8,12-13H2,1-5H3
InChIKeyCHZVSNLHTGNKCW-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.39
Rot. Bonds7

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

2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine (PubChem CID 55192326) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
PubChem CID55192326
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
SMILESCCCC(C)COc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H29NO/c1-6-8-14(2)13-19-16-10-7-9-15(11-16)12-18-17(3,4)5/h7,9-11,14,18H,6,8,12-13H2,1-5H3
InChIKeyCHZVSNLHTGNKCW-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854
2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[(3-but-3-en-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55145874
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[[2-ethyl-6-(2-methylpentoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103285465
N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 82007119
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55148751
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine (CID 55192326) is 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine is CCCC(C)COc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine?
The InChIKey is CHZVSNLHTGNKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-14(2)13-19-16-10-7-9-15(11-16)12-18-17(3,4)5/h7,9-11,14,18H,6,8,12-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 55192326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).