2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine

C17H29NO — CID 102987023

IUPAC2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
SMILESCCCC(C)OCc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-6-9-14(2)19-13-16-11-8-7-10-15(16)12-18-17(3,4)5/h7-8,10-11,14,18H,6,9,12-13H2,1-5H3
InChIKeyZJQFAQNOLPOXCL-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.28
Rot. Bonds7

About 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 102987023) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
PubChem CID102987023
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
SMILESCCCC(C)OCc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-6-9-14(2)19-13-16-11-8-7-10-15(16)12-18-17(3,4)5/h7-8,10-11,14,18H,6,9,12-13H2,1-5H3
InChIKeyZJQFAQNOLPOXCL-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 102986908
N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891006
1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
1,2-bis(butan-2-yloxymethyl)benzene
CID 21285753
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
CID 62455254
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine
CID 102986888
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62460379
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine (CID 102987023) is 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine is CCCC(C)OCc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is ZJQFAQNOLPOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-9-14(2)19-13-16-11-8-7-10-15(16)12-18-17(3,4)5/h7-8,10-11,14,18H,6,9,12-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 102987023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).