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

C10H14ClNO2 — CID 43499358

IUPAC4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
SMILESCC(O)CNCc1cc(Cl)ccc1O
InChIInChI=1S/C10H14ClNO2/c1-7(13)5-12-6-8-4-9(11)2-3-10(8)14/h2-4,7,12-14H,5-6H2,1H3
InChIKeyIXRWRDXAAPLSNP-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.52
Rot. Bonds4

About 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol

4-chloro-2-[(2-hydroxypropylamino)methyl]phenol (PubChem CID 43499358) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
PubChem CID43499358
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
SMILESCC(O)CNCc1cc(Cl)ccc1O
InChIInChI=1S/C10H14ClNO2/c1-7(13)5-12-6-8-4-9(11)2-3-10(8)14/h2-4,7,12-14H,5-6H2,1H3
InChIKeyIXRWRDXAAPLSNP-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

1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
4-chloro-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 62636256
4-chloro-2-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]phenol
CID 103743359
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
CID 66179486
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
2-[[[(2S)-2-hydroxypropyl]amino]methyl]-4-nitrophenol
CID 96908587
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
CID 139241738
2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703
4-chloro-2-[(2,2-dimethylbutylamino)methyl]phenol
CID 103460689
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol (CID 43499358) is 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol is CC(O)CNCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol?
The InChIKey is IXRWRDXAAPLSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7(13)5-12-6-8-4-9(11)2-3-10(8)14/h2-4,7,12-14H,5-6H2,1H3.
What are the key properties of 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol?
4-chloro-2-[(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 4-chloro-2-[(2-hydroxypropylamino)methyl]phenol is sourced from PubChem (CID 43499358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).