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

C24H32FNO2 — CID 7460939

IUPACN-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCOc1ccccc1[C@]1(CCNCc2ccccc2F)CCO[C@@H](C(C)C)C1
InChIInChI=1S/C24H32FNO2/c1-18(2)23-16-24(13-15-28-23,20-9-5-7-11-22(20)27-3)12-14-26-17-19-8-4-6-10-21(19)25/h4-11,18,23,26H,12-17H2,1-3H3/t23-,24-/m1/s1
InChIKeyKCYOBLYWPXGPGW-DNQXCXABSA-N
MW385.52 g/mol
LogP5.09
Rot. Bonds8

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

N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine (PubChem CID 7460939) has the molecular formula C24H32FNO2 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
PubChem CID7460939
Molecular FormulaC24H32FNO2
Molecular Weight385.52 g/mol
Exact Mass385.24
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
SMILESCOc1ccccc1[C@]1(CCNCc2ccccc2F)CCO[C@@H](C(C)C)C1
InChIInChI=1S/C24H32FNO2/c1-18(2)23-16-24(13-15-28-23,20-9-5-7-11-22(20)27-3)12-14-26-17-19-8-4-6-10-21(19)25/h4-11,18,23,26H,12-17H2,1-3H3/t23-,24-/m1/s1
InChIKeyKCYOBLYWPXGPGW-DNQXCXABSA-N
XLogP5.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine
CID 7122733
N-(furan-2-ylmethyl)-2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 7082816
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 40927130
N-[(2-fluorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 4564188
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7460579
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7460581
(3,4-dimethoxyphenyl)methyl-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639709
(3,4-dimethoxyphenyl)methyl-[2-[(2S,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639707
N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide
CID 3758231
N-benzyl-N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7082892
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-1-pyrazol-1-ylethanone
CID 7581199

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine (CID 7460939) is N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine is COc1ccccc1[C@]1(CCNCc2ccccc2F)CCO[C@@H](C(C)C)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
The InChIKey is KCYOBLYWPXGPGW-DNQXCXABSA-N. The full InChI is InChI=1S/C24H32FNO2/c1-18(2)23-16-24(13-15-28-23,20-9-5-7-11-22(20)27-3)12-14-26-17-19-8-4-6-10-21(19)25/h4-11,18,23,26H,12-17H2,1-3H3/t23-,24-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine?
N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine has a molecular weight of 385.52 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine is sourced from PubChem (CID 7460939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).