3-[amino(cyclobutyl)methyl]-2-methylphenol

C12H17NO — CID 130061106

IUPAC3-[amino(cyclobutyl)methyl]-2-methylphenol
SMILESCc1c(O)cccc1C(N)C1CCC1
InChIInChI=1S/C12H17NO/c1-8-10(6-3-7-11(8)14)12(13)9-4-2-5-9/h3,6-7,9,12,14H,2,4-5,13H2,1H3
InChIKeyYOLTVTGPKNTDRD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds2

About 3-[amino(cyclobutyl)methyl]-2-methylphenol

3-[amino(cyclobutyl)methyl]-2-methylphenol (PubChem CID 130061106) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[amino(cyclobutyl)methyl]-2-methylphenol.

Molecular Properties

Compound Name3-[amino(cyclobutyl)methyl]-2-methylphenol
PubChem CID130061106
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[amino(cyclobutyl)methyl]-2-methylphenol
SMILESCc1c(O)cccc1C(N)C1CCC1
InChIInChI=1S/C12H17NO/c1-8-10(6-3-7-11(8)14)12(13)9-4-2-5-9/h3,6-7,9,12,14H,2,4-5,13H2,1H3
InChIKeyYOLTVTGPKNTDRD-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
2-[(R)-amino(cyclopentyl)methyl]-6-methylphenol;hydrochloride
CID 171212510
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754

Frequently Asked Questions

What is the IUPAC name of 3-[amino(cyclobutyl)methyl]-2-methylphenol?
The IUPAC name of 3-[amino(cyclobutyl)methyl]-2-methylphenol (CID 130061106) is 3-[amino(cyclobutyl)methyl]-2-methylphenol.
What is the SMILES notation for 3-[amino(cyclobutyl)methyl]-2-methylphenol?
The canonical SMILES for 3-[amino(cyclobutyl)methyl]-2-methylphenol is Cc1c(O)cccc1C(N)C1CCC1.
What is the InChIKey of 3-[amino(cyclobutyl)methyl]-2-methylphenol?
The InChIKey is YOLTVTGPKNTDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-10(6-3-7-11(8)14)12(13)9-4-2-5-9/h3,6-7,9,12,14H,2,4-5,13H2,1H3.
What are the key properties of 3-[amino(cyclobutyl)methyl]-2-methylphenol?
3-[amino(cyclobutyl)methyl]-2-methylphenol has a molecular weight of 191.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(cyclobutyl)methyl]-2-methylphenol is sourced from PubChem (CID 130061106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).