2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine

C17H29NO — CID 112610248

IUPAC2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
SMILESCCC(C)COc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C17H29NO/c1-6-14(4)12-19-17-15(5)8-7-9-16(17)11-18-10-13(2)3/h7-9,13-14,18H,6,10-12H2,1-5H3
InChIKeyYFUTXGVHNJVPBM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.17
Rot. Bonds8

About 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine (PubChem CID 112610248) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
PubChem CID112610248
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
SMILESCCC(C)COc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C17H29NO/c1-6-14(4)12-19-17-15(5)8-7-9-16(17)11-18-10-13(2)3/h7-9,13-14,18H,6,10-12H2,1-5H3
InChIKeyYFUTXGVHNJVPBM-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
N-[(2-but-3-ynoxy-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 112610235
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
CID 106704768
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
2-methyl-N-[[3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115954356
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 55193645
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine (CID 112610248) is 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine is CCC(C)COc1c(C)cccc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine?
The InChIKey is YFUTXGVHNJVPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-14(4)12-19-17-15(5)8-7-9-16(17)11-18-10-13(2)3/h7-9,13-14,18H,6,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.17, 8 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-1-amine is sourced from PubChem (CID 112610248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).