N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C16H25NO — CID 55091858

IUPACN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1C1(CNC(C)(C)C)CCC1
InChIInChI=1S/C16H25NO/c1-15(2,3)17-12-16(10-7-11-16)13-8-5-6-9-14(13)18-4/h5-6,8-9,17H,7,10-12H2,1-4H3
InChIKeyVTUZTHNFRRJQDW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds4

About N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 55091858) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID55091858
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1C1(CNC(C)(C)C)CCC1
InChIInChI=1S/C16H25NO/c1-15(2,3)17-12-16(10-7-11-16)13-8-5-6-9-14(13)18-4/h5-6,8-9,17H,7,10-12H2,1-4H3
InChIKeyVTUZTHNFRRJQDW-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
N-[[1-(5-chloro-2-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63512396
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133491918
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
CID 133491901
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CID 110446469
1-[1-(isocyanomethyl)cyclobutyl]-2-methoxybenzene
CID 105453653

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 55091858) is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is COc1ccccc1C1(CNC(C)(C)C)CCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VTUZTHNFRRJQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)17-12-16(10-7-11-16)13-8-5-6-9-14(13)18-4/h5-6,8-9,17H,7,10-12H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55091858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).