N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine

C17H27NO2 — CID 116714647

IUPACN-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)C1(OC)CCC1
InChIInChI=1S/C17H27NO2/c1-5-18-16(17(19-4)10-7-11-17)14-8-6-9-15(12-14)20-13(2)3/h6,8-9,12-13,16,18H,5,7,10-11H2,1-4H3
InChIKeyVPKYFVOJMDYDRE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds7

About N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine

N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 116714647) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID116714647
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)C1(OC)CCC1
InChIInChI=1S/C17H27NO2/c1-5-18-16(17(19-4)10-7-11-17)14-8-6-9-15(12-14)20-13(2)3/h6,8-9,12-13,16,18H,5,7,10-11H2,1-4H3
InChIKeyVPKYFVOJMDYDRE-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 116714647) is N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC(C)C)c1)C1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is VPKYFVOJMDYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-18-16(17(19-4)10-7-11-17)14-8-6-9-15(12-14)20-13(2)3/h6,8-9,12-13,16,18H,5,7,10-11H2,1-4H3.
What are the key properties of N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 116714647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).