2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

C17H27NO — CID 103556298

IUPAC2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(CC1(OC)CCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)14-6-8-15(9-7-14)16(18-3)12-17(19-4)10-5-11-17/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyVKAQGACICSCMDZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds6

About 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 103556298) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID103556298
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(CC1(OC)CCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)14-6-8-15(9-7-14)16(18-3)12-17(19-4)10-5-11-17/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyVKAQGACICSCMDZ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine
CID 103556409
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
1-(3-chlorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559094
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 103556168
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
2-(1-methoxycyclobutyl)-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 103556166
[1-(4-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103560610
1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556474
1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556185
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556454

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (CID 103556298) is 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is CNC(CC1(OC)CCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is VKAQGACICSCMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)14-6-8-15(9-7-14)16(18-3)12-17(19-4)10-5-11-17/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 103556298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).