1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine

C16H25NO — CID 103903167

IUPAC1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCC2(C)CCC2)cc1
InChIInChI=1S/C16H25NO/c1-4-18-15-8-6-14(7-9-15)13(2)17-12-16(3)10-5-11-16/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyDSIQWBWSUUWSTQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine

1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 103903167) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID103903167
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCCOc1ccc(C(C)NCC2(C)CCC2)cc1
InChIInChI=1S/C16H25NO/c1-4-18-15-8-6-14(7-9-15)13(2)17-12-16(3)10-5-11-16/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyDSIQWBWSUUWSTQ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43734738
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63822061
N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107269688
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-2-ylethanamine
CID 63821863
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 103903167) is 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine is CCOc1ccc(C(C)NCC2(C)CCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is DSIQWBWSUUWSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-15-8-6-14(7-9-15)13(2)17-12-16(3)10-5-11-16/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 103903167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).