(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine

C24H23N — CID 102238248

IUPAC(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
SMILESC[C@@H](N[C@H](C)c1cc2ccccc2c2ccccc12)c1ccccc1
InChIInChI=1S/C24H23N/c1-17(19-10-4-3-5-11-19)25-18(2)24-16-20-12-6-7-13-21(20)22-14-8-9-15-23(22)24/h3-18,25H,1-2H3/t17-,18-/m1/s1
InChIKeyWKACUWGJSFJWCJ-QZTJIDSGSA-N
MW325.45 g/mol
LogP6.40
Rot. Bonds4

About (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine

(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine (PubChem CID 102238248) has the molecular formula C24H23N and a molecular weight of 325.45 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
PubChem CID102238248
Molecular FormulaC24H23N
Molecular Weight325.45 g/mol
Exact Mass325.18
IUPAC Name(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine
SMILESC[C@@H](N[C@H](C)c1cc2ccccc2c2ccccc12)c1ccccc1
InChIInChI=1S/C24H23N/c1-17(19-10-4-3-5-11-19)25-18(2)24-16-20-12-6-7-13-21(20)22-14-8-9-15-23(22)24/h3-18,25H,1-2H3/t17-,18-/m1/s1
InChIKeyWKACUWGJSFJWCJ-QZTJIDSGSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 56.40
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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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine (CID 102238248) is (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine is C[C@@H](N[C@H](C)c1cc2ccccc2c2ccccc12)c1ccccc1.
What is the InChIKey of (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine?
The InChIKey is WKACUWGJSFJWCJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H23N/c1-17(19-10-4-3-5-11-19)25-18(2)24-16-20-12-6-7-13-21(20)22-14-8-9-15-23(22)24/h3-18,25H,1-2H3/t17-,18-/m1/s1.
What are the key properties of (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine?
(1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine has a molecular weight of 325.45 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-phenanthren-9-ylethyl]-1-phenylethanamine is sourced from PubChem (CID 102238248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).