[2-chloro-5-(propan-2-ylamino)phenyl]methanol

C10H14ClNO — CID 23390717

IUPAC[2-chloro-5-(propan-2-ylamino)phenyl]methanol
SMILESCC(C)Nc1ccc(Cl)c(CO)c1
InChIInChI=1S/C10H14ClNO/c1-7(2)12-9-3-4-10(11)8(5-9)6-13/h3-5,7,12-13H,6H2,1-2H3
InChIKeyYMPFEJYNVSMBAW-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.65
Rot. Bonds3

About [2-chloro-5-(propan-2-ylamino)phenyl]methanol

[2-chloro-5-(propan-2-ylamino)phenyl]methanol (PubChem CID 23390717) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is [2-chloro-5-(propan-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-(propan-2-ylamino)phenyl]methanol
PubChem CID23390717
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name[2-chloro-5-(propan-2-ylamino)phenyl]methanol
SMILESCC(C)Nc1ccc(Cl)c(CO)c1
InChIInChI=1S/C10H14ClNO/c1-7(2)12-9-3-4-10(11)8(5-9)6-13/h3-5,7,12-13H,6H2,1-2H3
InChIKeyYMPFEJYNVSMBAW-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(propan-2-ylamino)phenyl]methanol?
The IUPAC name of [2-chloro-5-(propan-2-ylamino)phenyl]methanol (CID 23390717) is [2-chloro-5-(propan-2-ylamino)phenyl]methanol.
What is the SMILES notation for [2-chloro-5-(propan-2-ylamino)phenyl]methanol?
The canonical SMILES for [2-chloro-5-(propan-2-ylamino)phenyl]methanol is CC(C)Nc1ccc(Cl)c(CO)c1.
What is the InChIKey of [2-chloro-5-(propan-2-ylamino)phenyl]methanol?
The InChIKey is YMPFEJYNVSMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(2)12-9-3-4-10(11)8(5-9)6-13/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of [2-chloro-5-(propan-2-ylamino)phenyl]methanol?
[2-chloro-5-(propan-2-ylamino)phenyl]methanol has a molecular weight of 199.68 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(propan-2-ylamino)phenyl]methanol is sourced from PubChem (CID 23390717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).