2-chloro-4-(2-methylpropylamino)phenol

C10H14ClNO — CID 107678389

IUPAC2-chloro-4-(2-methylpropylamino)phenol
SMILESCC(C)CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-7(2)6-12-8-3-4-10(13)9(11)5-8/h3-5,7,12-13H,6H2,1-2H3
InChIKeyWLBPTWALCDESMZ-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.11
Rot. Bonds3

About 2-chloro-4-(2-methylpropylamino)phenol

2-chloro-4-(2-methylpropylamino)phenol (PubChem CID 107678389) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropylamino)phenol.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropylamino)phenol
PubChem CID107678389
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-4-(2-methylpropylamino)phenol
SMILESCC(C)CNc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-7(2)6-12-8-3-4-10(13)9(11)5-8/h3-5,7,12-13H,6H2,1-2H3
InChIKeyWLBPTWALCDESMZ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-(2-methylpropylamino)benzenecarbothioamide
CID 62948609
4-(2-methylpropylamino)phenol
CID 15847203
2-chloro-5-(2-methylpropylamino)benzonitrile
CID 43686844
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
CID 107677940
4-[(4-tert-butylphenyl)methylamino]-2-chlorophenol
CID 107678593
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
CID 39240659
2-chloro-4-(1,1-dimethoxypropan-2-ylamino)phenol
CID 107678609
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropylamino)phenol?
The IUPAC name of 2-chloro-4-(2-methylpropylamino)phenol (CID 107678389) is 2-chloro-4-(2-methylpropylamino)phenol.
What is the SMILES notation for 2-chloro-4-(2-methylpropylamino)phenol?
The canonical SMILES for 2-chloro-4-(2-methylpropylamino)phenol is CC(C)CNc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylpropylamino)phenol?
The InChIKey is WLBPTWALCDESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(2)6-12-8-3-4-10(13)9(11)5-8/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropylamino)phenol?
2-chloro-4-(2-methylpropylamino)phenol has a molecular weight of 199.68 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropylamino)phenol is sourced from PubChem (CID 107678389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).