2-amino-2-phenanthren-9-ylethanol

C16H15NO — CID 77130155

IUPAC2-amino-2-phenanthren-9-ylethanol
SMILESNC(CO)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H15NO/c17-16(10-18)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9,16,18H,10,17H2
InChIKeyBRIIWJQPHNXXJA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-2-phenanthren-9-ylethanol

2-amino-2-phenanthren-9-ylethanol (PubChem CID 77130155) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-phenanthren-9-ylethanol.

Molecular Properties

Compound Name2-amino-2-phenanthren-9-ylethanol
PubChem CID77130155
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-amino-2-phenanthren-9-ylethanol
SMILESNC(CO)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H15NO/c17-16(10-18)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9,16,18H,10,17H2
InChIKeyBRIIWJQPHNXXJA-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
CID 171232475
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
(1R)-1-phenanthren-9-ylbutane-1,4-diamine
CID 171212804
(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
CID 171232441
(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride
CID 171260147
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
(1S,2R)-1-amino-3-methyl-1-phenanthren-9-ylpentan-2-ol
CID 171270480
(1S,2R)-1-amino-5-methyl-1-phenanthren-9-ylhexan-2-ol;hydrochloride
CID 171270487
(1S,2R)-1-amino-1-phenanthren-9-ylhexan-2-ol
CID 171270484
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
CID 171250653

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenanthren-9-ylethanol?
The IUPAC name of 2-amino-2-phenanthren-9-ylethanol (CID 77130155) is 2-amino-2-phenanthren-9-ylethanol.
What is the SMILES notation for 2-amino-2-phenanthren-9-ylethanol?
The canonical SMILES for 2-amino-2-phenanthren-9-ylethanol is NC(CO)c1cc2ccccc2c2ccccc12.
What is the InChIKey of 2-amino-2-phenanthren-9-ylethanol?
The InChIKey is BRIIWJQPHNXXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c17-16(10-18)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9,16,18H,10,17H2.
What are the key properties of 2-amino-2-phenanthren-9-ylethanol?
2-amino-2-phenanthren-9-ylethanol has a molecular weight of 237.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenanthren-9-ylethanol is sourced from PubChem (CID 77130155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).