(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride

C17H15ClN2 — CID 171260147

IUPAC(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride
SMILESCl.N#CC[C@H](N)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H14N2.ClH/c18-10-9-17(19)16-11-12-5-1-2-6-13(12)14-7-3-4-8-15(14)16;/h1-8,11,17H,9,19H2;1H/t17-;/m0./s1
InChIKeyFZYAGJJZUKAWLF-LMOVPXPDSA-N
MW282.77 g/mol
LogP4.33
Rot. Bonds2

About (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride

(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride (PubChem CID 171260147) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride
PubChem CID171260147
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride
SMILESCl.N#CC[C@H](N)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C17H14N2.ClH/c18-10-9-17(19)16-11-12-5-1-2-6-13(12)14-7-3-4-8-15(14)16;/h1-8,11,17H,9,19H2;1H/t17-;/m0./s1
InChIKeyFZYAGJJZUKAWLF-LMOVPXPDSA-N
XLogP4.33
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-4-phenanthren-9-ylbutanenitrile
CID 171901989
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-ylpropan-1-ol
CID 171232475
2-[(1S)-1-amino-2-cyanoethyl]benzonitrile;hydrochloride
CID 171259902
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
CID 171260293
(3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanenitrile
CID 171260239
(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
CID 171250653
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
(1S,2R)-1-amino-5-methyl-1-phenanthren-9-ylhexan-2-ol;hydrochloride
CID 171270487

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride?
The IUPAC name of (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride (CID 171260147) is (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride is Cl.N#CC[C@H](N)c1cc2ccccc2c2ccccc12.
What is the InChIKey of (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride?
The InChIKey is FZYAGJJZUKAWLF-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H14N2.ClH/c18-10-9-17(19)16-11-12-5-1-2-6-13(12)14-7-3-4-8-15(14)16;/h1-8,11,17H,9,19H2;1H/t17-;/m0./s1.
What are the key properties of (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride?
(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride is sourced from PubChem (CID 171260147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).