cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine

C14H21NO2 — CID 82291299

IUPACcyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)C2CCC2)c(OC)c1C
InChIInChI=1S/C14H21NO2/c1-9-12(16-2)8-7-11(14(9)17-3)13(15)10-5-4-6-10/h7-8,10,13H,4-6,15H2,1-3H3
InChIKeyVVTAFBXWNXJMKX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.81
Rot. Bonds4

About cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine

cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine (PubChem CID 82291299) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
PubChem CID82291299
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)C2CCC2)c(OC)c1C
InChIInChI=1S/C14H21NO2/c1-9-12(16-2)8-7-11(14(9)17-3)13(15)10-5-4-6-10/h7-8,10,13H,4-6,15H2,1-3H3
InChIKeyVVTAFBXWNXJMKX-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
CID 171246211
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine?
The IUPAC name of cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine (CID 82291299) is cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine.
What is the SMILES notation for cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine?
The canonical SMILES for cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine is COc1ccc(C(N)C2CCC2)c(OC)c1C.
What is the InChIKey of cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine?
The InChIKey is VVTAFBXWNXJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-12(16-2)8-7-11(14(9)17-3)13(15)10-5-4-6-10/h7-8,10,13H,4-6,15H2,1-3H3.
What are the key properties of cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine?
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 82291299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).