[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol

C16H25NO — CID 116959084

IUPAC[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol
SMILESCNC(c1ccc(C)c(C)c1C)C1(CO)CCC1
InChIInChI=1S/C16H25NO/c1-11-6-7-14(13(3)12(11)2)15(17-4)16(10-18)8-5-9-16/h6-7,15,17-18H,5,8-10H2,1-4H3
InChIKeyUOVVVGUDUQFBFY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.03
Rot. Bonds4

About [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol

[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol (PubChem CID 116959084) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol
PubChem CID116959084
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol
SMILESCNC(c1ccc(C)c(C)c1C)C1(CO)CCC1
InChIInChI=1S/C16H25NO/c1-11-6-7-14(13(3)12(11)2)15(17-4)16(10-18)8-5-9-16/h6-7,15,17-18H,5,8-10H2,1-4H3
InChIKeyUOVVVGUDUQFBFY-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294
[1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958233
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107515341
1-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116958764
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116944873
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959052
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
[1-[(5-chlorothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958259

Frequently Asked Questions

What is the IUPAC name of [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol (CID 116959084) is [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol is CNC(c1ccc(C)c(C)c1C)C1(CO)CCC1.
What is the InChIKey of [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol?
The InChIKey is UOVVVGUDUQFBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-7-14(13(3)12(11)2)15(17-4)16(10-18)8-5-9-16/h6-7,15,17-18H,5,8-10H2,1-4H3.
What are the key properties of [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol?
[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116959084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).