N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine

C15H25NO2 — CID 44668483

IUPACN-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1ccc(C(C)(C)C)cc1)OC
InChIInChI=1S/C15H25NO2/c1-15(2,3)13-8-6-12(7-9-13)10-16-11-14(17-4)18-5/h6-9,14,16H,10-11H2,1-5H3
InChIKeyFXEPCWVQZKPEDX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.69
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine

N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine (PubChem CID 44668483) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
PubChem CID44668483
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNCc1ccc(C(C)(C)C)cc1)OC
InChIInChI=1S/C15H25NO2/c1-15(2,3)13-8-6-12(7-9-13)10-16-11-14(17-4)18-5/h6-9,14,16H,10-11H2,1-5H3
InChIKeyFXEPCWVQZKPEDX-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
CID 60663243
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292
4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 66090620
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
(2R,3R)-4-[(4-tert-butylphenyl)methylamino]-2,3-dihydroxybutanoic acid
CID 166393862
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657346
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine (CID 44668483) is N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine is COC(CNCc1ccc(C(C)(C)C)cc1)OC.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is FXEPCWVQZKPEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)13-8-6-12(7-9-13)10-16-11-14(17-4)18-5/h6-9,14,16H,10-11H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine?
N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 44668483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).