N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine

C23H30FNO — CID 7122733

IUPACN-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine
SMILESCC(C)[C@@H]1C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1
InChIInChI=1S/C23H30FNO/c1-18(2)22-16-23(13-15-26-22,20-9-4-3-5-10-20)12-14-25-17-19-8-6-7-11-21(19)24/h3-11,18,22,25H,12-17H2,1-2H3/t22-,23+/m0/s1
InChIKeyMSNDYHDGMIZQPJ-XZOQPEGZSA-N
MW355.50 g/mol
LogP5.08
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine

N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine (PubChem CID 7122733) has the molecular formula C23H30FNO and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine
PubChem CID7122733
Molecular FormulaC23H30FNO
Molecular Weight355.50 g/mol
Exact Mass355.23
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine
SMILESCC(C)[C@@H]1C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1
InChIInChI=1S/C23H30FNO/c1-18(2)22-16-23(13-15-26-22,20-9-4-3-5-10-20)12-14-25-17-19-8-6-7-11-21(19)24/h3-11,18,22,25H,12-17H2,1-2H3/t22-,23+/m0/s1
InChIKeyMSNDYHDGMIZQPJ-XZOQPEGZSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.08
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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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 7460939
2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium
CID 7350813
1-[2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]piperidin-1-ium
CID 6981772
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7463562
N-(furan-2-ylmethyl)-2-[(2R,6R)-4-phenyl-2,6-di(propan-2-yl)oxan-4-yl]ethanamine
CID 125433258
N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 7082816
(1S)-1-(4-chlorophenyl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]ethanamine
CID 6851493
[4-(dimethylamino)phenyl]methyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7069519
2-[(2S,4S)-4-benzyl-2-propan-2-yloxan-4-yl]-N-(furan-2-ylmethyl)ethanamine
CID 40917194
N-[(2-fluorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 4564188
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 40927130
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine (CID 7122733) is N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine is CC(C)[C@@H]1C[C@](CCNCc2ccccc2F)(c2ccccc2)CCO1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine?
The InChIKey is MSNDYHDGMIZQPJ-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H30FNO/c1-18(2)22-16-23(13-15-26-22,20-9-4-3-5-10-20)12-14-25-17-19-8-6-7-11-21(19)24/h3-11,18,22,25H,12-17H2,1-2H3/t22-,23+/m0/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine?
N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine has a molecular weight of 355.50 g/mol, XLogP of 5.08, 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-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine is sourced from PubChem (CID 7122733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).