2,2-diamino-2-(3-methylphenyl)ethanol

C9H14N2O — CID 174833042

IUPAC2,2-diamino-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(N)(N)CO)c1
InChIInChI=1S/C9H14N2O/c1-7-3-2-4-8(5-7)9(10,11)6-12/h2-5,12H,6,10-11H2,1H3
InChIKeyZUMSZIGGRGTOFH-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.06
Rot. Bonds2

About 2,2-diamino-2-(3-methylphenyl)ethanol

2,2-diamino-2-(3-methylphenyl)ethanol (PubChem CID 174833042) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,2-diamino-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2,2-diamino-2-(3-methylphenyl)ethanol
PubChem CID174833042
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,2-diamino-2-(3-methylphenyl)ethanol
SMILESCc1cccc(C(N)(N)CO)c1
InChIInChI=1S/C9H14N2O/c1-7-3-2-4-8(5-7)9(10,11)6-12/h2-5,12H,6,10-11H2,1H3
InChIKeyZUMSZIGGRGTOFH-UHFFFAOYSA-N
XLogP0.06
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol
CID 64806241
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
2-amino-2-(3-methylphenyl)butanoic acid
CID 83698226
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 61308364
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 106507337
[dihydroxy-(3-methylphenyl)methyl]sulfanyl-(3-methylphenyl)methanediol
CID 150288864

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-2-(3-methylphenyl)ethanol?
The IUPAC name of 2,2-diamino-2-(3-methylphenyl)ethanol (CID 174833042) is 2,2-diamino-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 2,2-diamino-2-(3-methylphenyl)ethanol?
The canonical SMILES for 2,2-diamino-2-(3-methylphenyl)ethanol is Cc1cccc(C(N)(N)CO)c1.
What is the InChIKey of 2,2-diamino-2-(3-methylphenyl)ethanol?
The InChIKey is ZUMSZIGGRGTOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-2-4-8(5-7)9(10,11)6-12/h2-5,12H,6,10-11H2,1H3.
What are the key properties of 2,2-diamino-2-(3-methylphenyl)ethanol?
2,2-diamino-2-(3-methylphenyl)ethanol has a molecular weight of 166.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 174833042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).