N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine

C16H25NO — CID 55073049

IUPACN-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1COC1CCC1
InChIInChI=1S/C16H25NO/c1-13(2)10-17-11-14-6-3-4-7-15(14)12-18-16-8-5-9-16/h3-4,6-7,13,16-17H,5,8-12H2,1-2H3
InChIKeyVVRXSGHFYRASKT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds7

About N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 55073049) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID55073049
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1COC1CCC1
InChIInChI=1S/C16H25NO/c1-13(2)10-17-11-14-6-3-4-7-15(14)12-18-16-8-5-9-16/h3-4,6-7,13,16-17H,5,8-12H2,1-2H3
InChIKeyVVRXSGHFYRASKT-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66322072
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
1-[[2-(cyclohexyloxymethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384880
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66227505
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 55073049) is N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccccc1COC1CCC1.
What is the InChIKey of N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VVRXSGHFYRASKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)10-17-11-14-6-3-4-7-15(14)12-18-16-8-5-9-16/h3-4,6-7,13,16-17H,5,8-12H2,1-2H3.
What are the key properties of N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55073049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).