[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol

C13H18ClNO2 — CID 114845807

IUPAC[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
SMILESCC1OCCC1N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C13H18ClNO2/c1-9-12(5-6-17-9)15(2)13-7-11(14)4-3-10(13)8-16/h3-4,7,9,12,16H,5-6,8H2,1-2H3
InChIKeyKNLRZHAFNBUYEP-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.45
Rot. Bonds3

About [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol

[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol (PubChem CID 114845807) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
PubChem CID114845807
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
SMILESCC1OCCC1N(C)c1cc(Cl)ccc1CO
InChIInChI=1S/C13H18ClNO2/c1-9-12(5-6-17-9)15(2)13-7-11(14)4-3-10(13)8-16/h3-4,7,9,12,16H,5-6,8H2,1-2H3
InChIKeyKNLRZHAFNBUYEP-UHFFFAOYSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol?
The IUPAC name of [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol (CID 114845807) is [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol?
The canonical SMILES for [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol is CC1OCCC1N(C)c1cc(Cl)ccc1CO.
What is the InChIKey of [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol?
The InChIKey is KNLRZHAFNBUYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-12(5-6-17-9)15(2)13-7-11(14)4-3-10(13)8-16/h3-4,7,9,12,16H,5-6,8H2,1-2H3.
What are the key properties of [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol?
[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 114845807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).