[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol

C16H25NO2 — CID 116944173

IUPAC[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
SMILESCOc1ccc(C(C)C)cc1C(N)C1(CO)CCC1
InChIInChI=1S/C16H25NO2/c1-11(2)12-5-6-14(19-3)13(9-12)15(17)16(10-18)7-4-8-16/h5-6,9,11,15,18H,4,7-8,10,17H2,1-3H3
InChIKeyUZLKPNRLNZBFLT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.98
Rot. Bonds5

About [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol

[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol (PubChem CID 116944173) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
PubChem CID116944173
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
SMILESCOc1ccc(C(C)C)cc1C(N)C1(CO)CCC1
InChIInChI=1S/C16H25NO2/c1-11(2)12-5-6-14(19-3)13(9-12)15(17)16(10-18)7-4-8-16/h5-6,9,11,15,18H,4,7-8,10,17H2,1-3H3
InChIKeyUZLKPNRLNZBFLT-UHFFFAOYSA-N
XLogP2.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
CID 171216475
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol (CID 116944173) is [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol is COc1ccc(C(C)C)cc1C(N)C1(CO)CCC1.
What is the InChIKey of [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol?
The InChIKey is UZLKPNRLNZBFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)12-5-6-14(19-3)13(9-12)15(17)16(10-18)7-4-8-16/h5-6,9,11,15,18H,4,7-8,10,17H2,1-3H3.
What are the key properties of [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol?
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).