4-amino-3-(1-hydroxyethylamino)-2-methylphenol

C9H14N2O2 — CID 174202825

IUPAC4-amino-3-(1-hydroxyethylamino)-2-methylphenol
SMILESCc1c(O)ccc(N)c1NC(C)O
InChIInChI=1S/C9H14N2O2/c1-5-8(13)4-3-7(10)9(5)11-6(2)12/h3-4,6,11-13H,10H2,1-2H3
InChIKeyVYOMBDNTFGMNKV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.03
Rot. Bonds2

About 4-amino-3-(1-hydroxyethylamino)-2-methylphenol

4-amino-3-(1-hydroxyethylamino)-2-methylphenol (PubChem CID 174202825) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-amino-3-(1-hydroxyethylamino)-2-methylphenol.

Molecular Properties

Compound Name4-amino-3-(1-hydroxyethylamino)-2-methylphenol
PubChem CID174202825
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-amino-3-(1-hydroxyethylamino)-2-methylphenol
SMILESCc1c(O)ccc(N)c1NC(C)O
InChIInChI=1S/C9H14N2O2/c1-5-8(13)4-3-7(10)9(5)11-6(2)12/h3-4,6,11-13H,10H2,1-2H3
InChIKeyVYOMBDNTFGMNKV-UHFFFAOYSA-N
XLogP1.03
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825
1-(2,4,6-trimethylanilino)ethanol
CID 160916728
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
4-(1-aminoethyl)-2,3-dimethylphenol
CID 82266494
4-amino-3-methyl-2-(4-methylphenyl)phenol
CID 174668416
3-amino-2-methylphenol;hydrate
CID 175262808
2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide
CID 112740863
1-(4-amino-3-propylanilino)ethanol
CID 57033695
4-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278408
4-(difluoromethyl)-2,3-dimethylphenol
CID 131214195
3-amino-4-chloro-2-methylphenol
CID 22708831
2-amino-4-[(propan-2-ylamino)methyl]phenol
CID 84657542

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-hydroxyethylamino)-2-methylphenol?
The IUPAC name of 4-amino-3-(1-hydroxyethylamino)-2-methylphenol (CID 174202825) is 4-amino-3-(1-hydroxyethylamino)-2-methylphenol.
What is the SMILES notation for 4-amino-3-(1-hydroxyethylamino)-2-methylphenol?
The canonical SMILES for 4-amino-3-(1-hydroxyethylamino)-2-methylphenol is Cc1c(O)ccc(N)c1NC(C)O.
What is the InChIKey of 4-amino-3-(1-hydroxyethylamino)-2-methylphenol?
The InChIKey is VYOMBDNTFGMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-8(13)4-3-7(10)9(5)11-6(2)12/h3-4,6,11-13H,10H2,1-2H3.
What are the key properties of 4-amino-3-(1-hydroxyethylamino)-2-methylphenol?
4-amino-3-(1-hydroxyethylamino)-2-methylphenol has a molecular weight of 182.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-hydroxyethylamino)-2-methylphenol is sourced from PubChem (CID 174202825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).