[2-chloro-3-(methylamino)phenyl]methanol

C8H10ClNO — CID 155220640

IUPAC[2-chloro-3-(methylamino)phenyl]methanol
SMILESCNc1cccc(CO)c1Cl
InChIInChI=1S/C8H10ClNO/c1-10-7-4-2-3-6(5-11)8(7)9/h2-4,10-11H,5H2,1H3
InChIKeyXIHKPWBBTRRAIS-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.87
Rot. Bonds2

About [2-chloro-3-(methylamino)phenyl]methanol

[2-chloro-3-(methylamino)phenyl]methanol (PubChem CID 155220640) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is [2-chloro-3-(methylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-3-(methylamino)phenyl]methanol
PubChem CID155220640
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name[2-chloro-3-(methylamino)phenyl]methanol
SMILESCNc1cccc(CO)c1Cl
InChIInChI=1S/C8H10ClNO/c1-10-7-4-2-3-6(5-11)8(7)9/h2-4,10-11H,5H2,1H3
InChIKeyXIHKPWBBTRRAIS-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(methylamino)phenyl]methanol?
The IUPAC name of [2-chloro-3-(methylamino)phenyl]methanol (CID 155220640) is [2-chloro-3-(methylamino)phenyl]methanol.
What is the SMILES notation for [2-chloro-3-(methylamino)phenyl]methanol?
The canonical SMILES for [2-chloro-3-(methylamino)phenyl]methanol is CNc1cccc(CO)c1Cl.
What is the InChIKey of [2-chloro-3-(methylamino)phenyl]methanol?
The InChIKey is XIHKPWBBTRRAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-10-7-4-2-3-6(5-11)8(7)9/h2-4,10-11H,5H2,1H3.
What are the key properties of [2-chloro-3-(methylamino)phenyl]methanol?
[2-chloro-3-(methylamino)phenyl]methanol has a molecular weight of 171.63 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(methylamino)phenyl]methanol is sourced from PubChem (CID 155220640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).