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

C16H25NO — CID 115246983

IUPAC[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
SMILESCc1ccc(CNCC2(CO)CCC2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-5-6-15(14(3)13(12)2)9-17-10-16(11-18)7-4-8-16/h5-6,17-18H,4,7-11H2,1-3H3
InChIKeyYWXNCDOPJJVSLE-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.86
Rot. Bonds5

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

[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol (PubChem CID 115246983) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
PubChem CID115246983
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
SMILESCc1ccc(CNCC2(CO)CCC2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-5-6-15(14(3)13(12)2)9-17-10-16(11-18)7-4-8-16/h5-6,17-18H,4,7-11H2,1-3H3
InChIKeyYWXNCDOPJJVSLE-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-3-methylbenzonitrile
CID 114480615
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine
CID 115225803
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469

Frequently Asked Questions

What is the IUPAC name of [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol (CID 115246983) is [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol is Cc1ccc(CNCC2(CO)CCC2)c(C)c1C.
What is the InChIKey of [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol?
The InChIKey is YWXNCDOPJJVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-6-15(14(3)13(12)2)9-17-10-16(11-18)7-4-8-16/h5-6,17-18H,4,7-11H2,1-3H3.
What are the key properties of [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol?
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).