(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol

C17H17NO — CID 171232475

IUPAC(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
SMILESN[C@@H](CCO)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H17NO/c18-17(9-10-19)16-11-12-5-1-2-6-13(12)14-7-3-4-8-15(14)16/h1-8,11,17,19H,9-10,18H2/t17-/m0/s1
InChIKeyHGFZFLXMJXZFGL-KRWDZBQOSA-N
MW251.33 g/mol
LogP3.38
Rot. Bonds3

About (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol

(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol (PubChem CID 171232475) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
PubChem CID171232475
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
SMILESN[C@@H](CCO)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H17NO/c18-17(9-10-19)16-11-12-5-1-2-6-13(12)14-7-3-4-8-15(14)16/h1-8,11,17,19H,9-10,18H2/t17-/m0/s1
InChIKeyHGFZFLXMJXZFGL-KRWDZBQOSA-N
XLogP3.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.38
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

2-amino-2-phenanthren-9-ylethanol
CID 77130155
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
(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
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(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
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
CID 170874748
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
(1S,2R)-1-amino-3-methyl-1-phenanthren-9-ylpentan-2-ol
CID 171270480

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol?
The IUPAC name of (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol (CID 171232475) is (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol is N[C@@H](CCO)c1cc2ccccc2c2ccccc12.
What is the InChIKey of (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol?
The InChIKey is HGFZFLXMJXZFGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17NO/c18-17(9-10-19)16-11-12-5-1-2-6-13(12)14-7-3-4-8-15(14)16/h1-8,11,17,19H,9-10,18H2/t17-/m0/s1.
What are the key properties of (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol?
(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-phenanthren-9-ylpropan-1-ol is sourced from PubChem (CID 171232475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).