[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine

C15H23NO2 — CID 117377033

IUPAC[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine
SMILESCOCC(OC)c1ccc(C2(CN)CCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-10-14(18-2)12-4-6-13(7-5-12)15(11-16)8-3-9-15/h4-7,14H,3,8-11,16H2,1-2H3
InChIKeyQLKZRYUTUSOPPS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.40
Rot. Bonds6

About [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine

[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117377033) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine
PubChem CID117377033
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine
SMILESCOCC(OC)c1ccc(C2(CN)CCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-10-14(18-2)12-4-6-13(7-5-12)15(11-16)8-3-9-15/h4-7,14H,3,8-11,16H2,1-2H3
InChIKeyQLKZRYUTUSOPPS-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
CID 117113157
1-[4-(1,2-dimethoxyethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117446147
1-[4-[1-(aminomethyl)cyclobutyl]phenyl]ethane-1,2-diol
CID 117316559
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392
[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
CID 117408640
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine (CID 117377033) is [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine is COCC(OC)c1ccc(C2(CN)CCC2)cc1.
What is the InChIKey of [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is QLKZRYUTUSOPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-10-14(18-2)12-4-6-13(7-5-12)15(11-16)8-3-9-15/h4-7,14H,3,8-11,16H2,1-2H3.
What are the key properties of [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine?
[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117377033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).