N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine

C24H32FNO — CID 2965334

IUPACN-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCc1ccc(C2(CCNCc3ccccc3F)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C24H32FNO/c1-18(2)23-16-24(13-15-27-23,21-10-8-19(3)9-11-21)12-14-26-17-20-6-4-5-7-22(20)25/h4-11,18,23,26H,12-17H2,1-3H3
InChIKeyLXQCJRFOFVFPAV-UHFFFAOYSA-N
MW369.52 g/mol
LogP5.39
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine

N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine (PubChem CID 2965334) has the molecular formula C24H32FNO and a molecular weight of 369.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine
PubChem CID2965334
Molecular FormulaC24H32FNO
Molecular Weight369.52 g/mol
Exact Mass369.25
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCc1ccc(C2(CCNCc3ccccc3F)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C24H32FNO/c1-18(2)23-16-24(13-15-27-23,21-10-8-19(3)9-11-21)12-14-26-17-20-6-4-5-7-22(20)25/h4-11,18,23,26H,12-17H2,1-3H3
InChIKeyLXQCJRFOFVFPAV-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine (CID 2965334) is N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine is Cc1ccc(C2(CCNCc3ccccc3F)CCOC(C(C)C)C2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The InChIKey is LXQCJRFOFVFPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO/c1-18(2)23-16-24(13-15-27-23,21-10-8-19(3)9-11-21)12-14-26-17-20-6-4-5-7-22(20)25/h4-11,18,23,26H,12-17H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine has a molecular weight of 369.52 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethanamine is sourced from PubChem (CID 2965334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).