N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine

C16H25NO2 — CID 103991718

IUPACN-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCOC1(CNCc2ccccc2OC(C)C)CCC1
InChIInChI=1S/C16H25NO2/c1-13(2)19-15-8-5-4-7-14(15)11-17-12-16(18-3)9-6-10-16/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyJCOQHPSAJQIUOZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds7

About N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine

N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 103991718) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
PubChem CID103991718
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCOC1(CNCc2ccccc2OC(C)C)CCC1
InChIInChI=1S/C16H25NO2/c1-13(2)19-15-8-5-4-7-14(15)11-17-12-16(18-3)9-6-10-16/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyJCOQHPSAJQIUOZ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750185
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991542
N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 112727650
2-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 60760080
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine (CID 103991718) is N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine is COC1(CNCc2ccccc2OC(C)C)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is JCOQHPSAJQIUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)19-15-8-5-4-7-14(15)11-17-12-16(18-3)9-6-10-16/h4-5,7-8,13,17H,6,9-12H2,1-3H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 103991718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).