N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

C20H25ClFNO3 — CID 17290269

IUPACN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCOc1cccc(CNCC2CCCO2)c1OCc1ccccc1F.Cl
InChIInChI=1S/C20H24FNO3.ClH/c1-23-19-10-4-7-15(12-22-13-17-8-5-11-24-17)20(19)25-14-16-6-2-3-9-18(16)21;/h2-4,6-7,9-10,17,22H,5,8,11-14H2,1H3;1H
InChIKeyHGSHGWFBUANLBD-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.10
Rot. Bonds8

About N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride

N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (PubChem CID 17290269) has the molecular formula C20H25ClFNO3 and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
PubChem CID17290269
Molecular FormulaC20H25ClFNO3
Molecular Weight381.88 g/mol
Exact Mass381.15
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
SMILESCOc1cccc(CNCC2CCCO2)c1OCc1ccccc1F.Cl
InChIInChI=1S/C20H24FNO3.ClH/c1-23-19-10-4-7-15(12-22-13-17-8-5-11-24-17)20(19)25-14-16-6-2-3-9-18(16)21;/h2-4,6-7,9-10,17,22H,5,8,11-14H2,1H3;1H
InChIKeyHGSHGWFBUANLBD-UHFFFAOYSA-N
XLogP4.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17212561
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187873
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4716086
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 834225
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
1-(1-ethylpyrrolidin-2-yl)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;dihydrochloride
CID 172886980
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834252
1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804284

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride (CID 17290269) is N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is COc1cccc(CNCC2CCCO2)c1OCc1ccccc1F.Cl.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
The InChIKey is HGSHGWFBUANLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3.ClH/c1-23-19-10-4-7-15(12-22-13-17-8-5-11-24-17)20(19)25-14-16-6-2-3-9-18(16)21;/h2-4,6-7,9-10,17,22H,5,8,11-14H2,1H3;1H.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride?
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 17290269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).