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

C17H29NO2 — CID 54847891

IUPACN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)C)c1OCCC(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)10-11-20-16-14(12-18-17(3,4)5)8-7-9-15(16)19-6/h7-9,13,18H,10-12H2,1-6H3
InChIKeyUVIUNJCNMTXVGB-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.01
Rot. Bonds7

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

N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 54847891) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID54847891
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)C)c1OCCC(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)10-11-20-16-14(12-18-17(3,4)5)8-7-9-15(16)19-6/h7-9,13,18H,10-12H2,1-6H3
InChIKeyUVIUNJCNMTXVGB-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848699
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[[2-(3-chloroprop-2-enoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 76983244

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 54847891) is N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is COc1cccc(CNC(C)(C)C)c1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UVIUNJCNMTXVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)10-11-20-16-14(12-18-17(3,4)5)8-7-9-15(16)19-6/h7-9,13,18H,10-12H2,1-6H3.
What are the key properties of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 54847891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).