(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride

C19H22ClN — CID 171250653

IUPAC(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc2ccccc2c2ccccc12.Cl
InChIInChI=1S/C19H21N.ClH/c1-19(2,3)18(20)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17;/h4-12,18H,20H2,1-3H3;1H/t18-;/m0./s1
InChIKeyILKYLWAYAAZUCK-FERBBOLQSA-N
MW299.85 g/mol
LogP5.46
Rot. Bonds1

About (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride

(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride (PubChem CID 171250653) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
PubChem CID171250653
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc2ccccc2c2ccccc12.Cl
InChIInChI=1S/C19H21N.ClH/c1-19(2,3)18(20)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17;/h4-12,18H,20H2,1-3H3;1H/t18-;/m0./s1
InChIKeyILKYLWAYAAZUCK-FERBBOLQSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
(1S)-3-methyl-1-phenanthren-9-ylbutan-1-amine
CID 171232441
(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171242641
2-amino-2-phenanthren-9-ylethanol
CID 77130155
(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride
CID 171260147
(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
(1S,2R)-1-amino-5-methyl-1-phenanthren-9-ylhexan-2-ol;hydrochloride
CID 171270487
(3S)-3-amino-3-phenanthren-9-ylpropan-1-ol
CID 171232475
(1R)-1-phenanthren-9-ylbutane-1,4-diamine
CID 171212804
9-(1-methoxyethyl)phenanthrene
CID 59800346
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride (CID 171250653) is (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride is CC(C)(C)[C@@H](N)c1cc2ccccc2c2ccccc12.Cl.
What is the InChIKey of (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride?
The InChIKey is ILKYLWAYAAZUCK-FERBBOLQSA-N. The full InChI is InChI=1S/C19H21N.ClH/c1-19(2,3)18(20)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17;/h4-12,18H,20H2,1-3H3;1H/t18-;/m0./s1.
What are the key properties of (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride?
(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 5.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171250653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).