1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine

C14H21NO — CID 62596777

IUPAC1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2cc(C)ccc2OC)CCC1
InChIInChI=1S/C14H21NO/c1-11-5-6-13(16-3)12(9-11)14(10-15-2)7-4-8-14/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyUOULURZUKUKEMI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine

1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 62596777) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID62596777
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2cc(C)ccc2OC)CCC1
InChIInChI=1S/C14H21NO/c1-11-5-6-13(16-3)12(9-11)14(10-15-2)7-4-8-14/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyUOULURZUKUKEMI-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[1-(2,5-dimethylphenyl)cyclopentyl]-N-methylmethanamine
CID 82471973
N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
CID 65009660
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
CID 64997529
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
CID 66432596
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 133272789

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine (CID 62596777) is 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine is CNCC1(c2cc(C)ccc2OC)CCC1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is UOULURZUKUKEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-6-13(16-3)12(9-11)14(10-15-2)7-4-8-14/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine?
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 62596777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).