2-chloro-6-[(2-hydroxypropylamino)methyl]phenol

C10H14ClNO2 — CID 112553929

IUPAC2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
SMILESCC(O)CNCc1cccc(Cl)c1O
InChIInChI=1S/C10H14ClNO2/c1-7(13)5-12-6-8-3-2-4-9(11)10(8)14/h2-4,7,12-14H,5-6H2,1H3
InChIKeyNBVMIRFWRSGBSK-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.52
Rot. Bonds4

About 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol

2-chloro-6-[(2-hydroxypropylamino)methyl]phenol (PubChem CID 112553929) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
PubChem CID112553929
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
SMILESCC(O)CNCc1cccc(Cl)c1O
InChIInChI=1S/C10H14ClNO2/c1-7(13)5-12-6-8-3-2-4-9(11)10(8)14/h2-4,7,12-14H,5-6H2,1H3
InChIKeyNBVMIRFWRSGBSK-UHFFFAOYSA-N
XLogP1.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol
CID 112568738
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
2-chloro-6-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 113352473
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-chloro-6-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 115951704
2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112568714
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
2-chloro-6-[(pent-3-ynylamino)methyl]phenol
CID 115978358
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-butan-2-yl-3-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112554128
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol (CID 112553929) is 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol is CC(O)CNCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol?
The InChIKey is NBVMIRFWRSGBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7(13)5-12-6-8-3-2-4-9(11)10(8)14/h2-4,7,12-14H,5-6H2,1H3.
What are the key properties of 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol?
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol has a molecular weight of 215.68 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-hydroxypropylamino)methyl]phenol is sourced from PubChem (CID 112553929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).