2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine

C19H31NO — CID 103556409

IUPAC2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine
SMILESCCC(C)(C)c1ccc(C(CC2(OC)CCC2)NC)cc1
InChIInChI=1S/C19H31NO/c1-6-18(2,3)16-10-8-15(9-11-16)17(20-4)14-19(21-5)12-7-13-19/h8-11,17,20H,6-7,12-14H2,1-5H3
InChIKeyCCCBKBCOISCLFZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.59
Rot. Bonds7

About 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine

2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine (PubChem CID 103556409) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine
PubChem CID103556409
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine
SMILESCCC(C)(C)c1ccc(C(CC2(OC)CCC2)NC)cc1
InChIInChI=1S/C19H31NO/c1-6-18(2,3)16-10-8-15(9-11-16)17(20-4)14-19(21-5)12-7-13-19/h8-11,17,20H,6-7,12-14H2,1-5H3
InChIKeyCCCBKBCOISCLFZ-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 103556298
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556474
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
N-ethyl-1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559311
2-(1-methoxycyclobutyl)-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 103556166
[1-(4-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103560610
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559312
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107177921

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine (CID 103556409) is 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine is CCC(C)(C)c1ccc(C(CC2(OC)CCC2)NC)cc1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine?
The InChIKey is CCCBKBCOISCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-18(2,3)16-10-8-15(9-11-16)17(20-4)14-19(21-5)12-7-13-19/h8-11,17,20H,6-7,12-14H2,1-5H3.
What are the key properties of 2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine?
2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.59, 7 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-(2-methylbutan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 103556409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).