2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol

C12H16ClNO2 — CID 115625698

IUPAC2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCC2(O)CCC2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c13-10-6-9(2-3-11(10)15)7-14-8-12(16)4-1-5-12/h2-3,6,14-16H,1,4-5,7-8H2
InChIKeyQBBGLJRQIITPJF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds4

About 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol

2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol (PubChem CID 115625698) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
PubChem CID115625698
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCC2(O)CCC2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c13-10-6-9(2-3-11(10)15)7-14-8-12(16)4-1-5-12/h2-3,6,14-16H,1,4-5,7-8H2
InChIKeyQBBGLJRQIITPJF-UHFFFAOYSA-N
XLogP2.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883
2-[(3-chloro-4-hydroxyphenyl)methylamino]acetonitrile
CID 130620315
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 78960288
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
2-bromo-4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]phenol
CID 65117949
1-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934749
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol (CID 115625698) is 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol is Oc1ccc(CNCC2(O)CCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
The InChIKey is QBBGLJRQIITPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-10-6-9(2-3-11(10)15)7-14-8-12(16)4-1-5-12/h2-3,6,14-16H,1,4-5,7-8H2.
What are the key properties of 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol?
2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol has a molecular weight of 241.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol is sourced from PubChem (CID 115625698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).