N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C16H25NO — CID 113348858

IUPACN-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCCC1CCC1
InChIInChI=1S/C16H25NO/c1-12-7-8-16(18-3)15(11-12)13(2)17-10-9-14-5-4-6-14/h7-8,11,13-14,17H,4-6,9-10H2,1-3H3
InChIKeyYCSMWKNIIBKWLL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds6

About N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 113348858) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID113348858
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCCC1CCC1
InChIInChI=1S/C16H25NO/c1-12-7-8-16(18-3)15(11-12)13(2)17-10-9-14-5-4-6-14/h7-8,11,13-14,17H,4-6,9-10H2,1-3H3
InChIKeyYCSMWKNIIBKWLL-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225394
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 113348858) is N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is YCSMWKNIIBKWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-8-16(18-3)15(11-12)13(2)17-10-9-14-5-4-6-14/h7-8,11,13-14,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 113348858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).