N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine

C17H29NO2 — CID 79628757

IUPACN-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(COCC(C)(C)CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)18-12-17(4,5)13-20-11-14-7-9-15(19-6)10-8-14/h7-10,18H,11-13H2,1-6H3
InChIKeyMHXVMZYAZNYVIJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.63
Rot. Bonds7

About N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine

N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine (PubChem CID 79628757) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
PubChem CID79628757
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(COCC(C)(C)CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)18-12-17(4,5)13-20-11-14-7-9-15(19-6)10-8-14/h7-10,18H,11-13H2,1-6H3
InChIKeyMHXVMZYAZNYVIJ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-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

3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 64999486
N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62260451
1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide
CID 175502067
ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
CID 11034192
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
N-tert-butylsulfanyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 174083682
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 82831624
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 82831932

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine (CID 79628757) is N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine is COc1ccc(COCC(C)(C)CNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine?
The InChIKey is MHXVMZYAZNYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)18-12-17(4,5)13-20-11-14-7-9-15(19-6)10-8-14/h7-10,18H,11-13H2,1-6H3.
What are the key properties of N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79628757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).