[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium

C23H25FNO2+ — CID 7135735

IUPAC[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
SMILESCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1F
InChIInChI=1S/C23H24FNO2/c1-17(18-9-4-3-5-10-18)25-15-19-12-8-14-22(26-2)23(19)27-16-20-11-6-7-13-21(20)24/h3-14,17,25H,15-16H2,1-2H3/p+1/t17-/m0/s1
InChIKeyQQTGGZUNVZPOIW-KRWDZBQOSA-O
MW366.46 g/mol
LogP4.24
Rot. Bonds8

About [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium

[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium (PubChem CID 7135735) has the molecular formula C23H25FNO2+ and a molecular weight of 366.46 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
PubChem CID7135735
Molecular FormulaC23H25FNO2+
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
SMILESCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1F
InChIInChI=1S/C23H24FNO2/c1-17(18-9-4-3-5-10-18)25-15-19-12-8-14-22(26-2)23(19)27-16-20-11-6-7-13-21(20)24/h3-14,17,25H,15-16H2,1-2H3/p+1/t17-/m0/s1
InChIKeyQQTGGZUNVZPOIW-KRWDZBQOSA-O
XLogP4.24
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium with MolForge

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Related Compounds

[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid
CID 66527077
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
1,3-benzodioxol-5-ylmethyl-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium chloride
CID 44664744
2-chloro-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropanamide
CID 146098683

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium (CID 7135735) is [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium is COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium?
The InChIKey is QQTGGZUNVZPOIW-KRWDZBQOSA-O. The full InChI is InChI=1S/C23H24FNO2/c1-17(18-9-4-3-5-10-18)25-15-19-12-8-14-22(26-2)23(19)27-16-20-11-6-7-13-21(20)24/h3-14,17,25H,15-16H2,1-2H3/p+1/t17-/m0/s1.
What are the key properties of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium?
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium has a molecular weight of 366.46 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 7135735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).