(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol

C21H23NO — CID 171264796

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol
SMILESN[C@H](c1cc2ccccc2c2ccccc12)[C@@H](O)C1CCCC1
InChIInChI=1S/C21H23NO/c22-20(21(23)14-7-1-2-8-14)19-13-15-9-3-4-10-16(15)17-11-5-6-12-18(17)19/h3-6,9-14,20-21,23H,1-2,7-8,22H2/t20-,21+/m1/s1
InChIKeyYBIALHBWNYNKJV-RTWAWAEBSA-N
MW305.42 g/mol
LogP4.54
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol

(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol (PubChem CID 171264796) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol
PubChem CID171264796
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol
SMILESN[C@H](c1cc2ccccc2c2ccccc12)[C@@H](O)C1CCCC1
InChIInChI=1S/C21H23NO/c22-20(21(23)14-7-1-2-8-14)19-13-15-9-3-4-10-16(15)17-11-5-6-12-18(17)19/h3-6,9-14,20-21,23H,1-2,7-8,22H2/t20-,21+/m1/s1
InChIKeyYBIALHBWNYNKJV-RTWAWAEBSA-N
XLogP4.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.54
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

(R)-cyclobutyl(phenanthren-9-yl)methanamine
CID 171212831
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]naphthalen-1-ol;hydrochloride
CID 171269428
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
(1S,2R)-1-amino-3-methyl-1-phenanthren-9-ylpentan-2-ol
CID 171270480
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499
(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-phenanthren-9-ylethanol
CID 77130155
(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol (CID 171264796) is (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol is N[C@H](c1cc2ccccc2c2ccccc12)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol?
The InChIKey is YBIALHBWNYNKJV-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H23NO/c22-20(21(23)14-7-1-2-8-14)19-13-15-9-3-4-10-16(15)17-11-5-6-12-18(17)19/h3-6,9-14,20-21,23H,1-2,7-8,22H2/t20-,21+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol?
(1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol has a molecular weight of 305.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopentyl-2-phenanthren-9-ylethanol is sourced from PubChem (CID 171264796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).