N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine

C23H24FNO2 — CID 91004239

IUPACN-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1C(C)N(F)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24FNO2/c1-18(22-10-6-7-11-23(22)26-2)25(24)16-19-12-14-21(15-13-19)27-17-20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3
InChIKeyAYTNBPPTKMPOPQ-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.72
Rot. Bonds8

About N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine

N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 91004239) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID91004239
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC NameN-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1C(C)N(F)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24FNO2/c1-18(22-10-6-7-11-23(22)26-2)25(24)16-19-12-14-21(15-13-19)27-17-20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3
InChIKeyAYTNBPPTKMPOPQ-UHFFFAOYSA-N
XLogP5.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(2R)-2-[(1R)-1-(2-methoxy-5-phenylmethoxyphenyl)ethoxy]propan-1-ol
CID 10663217
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 54452131
(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
CID 16644851
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
N-[(2R)-2-(3-methoxy-2-phenylmethoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]-N-methylformamide
CID 139625327
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303

Frequently Asked Questions

What is the IUPAC name of N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine (CID 91004239) is N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is COc1ccccc1C(C)N(F)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is AYTNBPPTKMPOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-18(22-10-6-7-11-23(22)26-2)25(24)16-19-12-14-21(15-13-19)27-17-20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3.
What are the key properties of N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine?
N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 365.45 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 91004239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).