N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H29NO — CID 63486343

IUPACN-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCOc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-16(2,3)11-12-19-15-10-8-7-9-14(15)13-18-17(4,5)6/h7-10,18H,11-13H2,1-6H3
InChIKeyXESXSXZUOPYPTK-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.39
Rot. Bonds5

About N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63486343) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63486343
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCOc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO/c1-16(2,3)11-12-19-15-10-8-7-9-14(15)13-18-17(4,5)6/h7-10,18H,11-13H2,1-6H3
InChIKeyXESXSXZUOPYPTK-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
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
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 62417039
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
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63486343) is N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)CCOc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XESXSXZUOPYPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2,3)11-12-19-15-10-8-7-9-14(15)13-18-17(4,5)6/h7-10,18H,11-13H2,1-6H3.
What are the key properties of N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63486343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).