(1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine

C25H21FN2O2 — CID 70188140

IUPAC(1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NC(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12
InChIInChI=1S/C25H21FN2O2/c1-17(23-11-5-7-18-6-2-3-10-24(18)23)27-25(19-12-14-21(26)15-13-19)20-8-4-9-22(16-20)28(29)30/h2-17,25,27H,1H3/t17-,25?/m1/s1
InChIKeyLEVNUAXIACEBCC-SMFUYQKNSA-N
MW400.45 g/mol
LogP6.33
Rot. Bonds6

About (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 70188140) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID70188140
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name(1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NC(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12
InChIInChI=1S/C25H21FN2O2/c1-17(23-11-5-7-18-6-2-3-10-24(18)23)27-25(19-12-14-21(26)15-13-19)20-8-4-9-22(16-20)28(29)30/h2-17,25,27H,1H3/t17-,25?/m1/s1
InChIKeyLEVNUAXIACEBCC-SMFUYQKNSA-N
XLogP6.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine (CID 70188140) is (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine is C[C@@H](NC(c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12.
What is the InChIKey of (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is LEVNUAXIACEBCC-SMFUYQKNSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-17(23-11-5-7-18-6-2-3-10-24(18)23)27-25(19-12-14-21(26)15-13-19)20-8-4-9-22(16-20)28(29)30/h2-17,25,27H,1H3/t17-,25?/m1/s1.
What are the key properties of (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 400.45 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-fluorophenyl)-(3-nitrophenyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 70188140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).