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

C17H29NO2 — CID 103032778

IUPACN-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCOc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-16(2,3)18-13-14-9-7-8-10-15(14)20-12-11-17(4,5)19-6/h7-10,18H,11-13H2,1-6H3
InChIKeyPOFAVUIJBLGJJC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.77
Rot. Bonds7

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

N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 103032778) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID103032778
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCOc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-16(2,3)18-13-14-9-7-8-10-15(14)20-12-11-17(4,5)19-6/h7-10,18H,11-13H2,1-6H3
InChIKeyPOFAVUIJBLGJJC-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63063933
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 62417039
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983308
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999751

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 103032778) is N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is COC(C)(C)CCOc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is POFAVUIJBLGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)18-13-14-9-7-8-10-15(14)20-12-11-17(4,5)19-6/h7-10,18H,11-13H2,1-6H3.
What are the key properties of N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103032778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).