N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride

C23H33ClFNO2 — CID 17331211

IUPACN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
SMILESCCCCCCCCNCc1cccc(OC)c1OCc1ccccc1F.Cl
InChIInChI=1S/C23H32FNO2.ClH/c1-3-4-5-6-7-10-16-25-17-19-13-11-15-22(26-2)23(19)27-18-20-12-8-9-14-21(20)24;/h8-9,11-15,25H,3-7,10,16-18H2,1-2H3;1H
InChIKeyVMHWKMSYUSKULV-UHFFFAOYSA-N
MW409.97 g/mol
LogP6.29
Rot. Bonds13

About N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride

N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride (PubChem CID 17331211) has the molecular formula C23H33ClFNO2 and a molecular weight of 409.97 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
PubChem CID17331211
Molecular FormulaC23H33ClFNO2
Molecular Weight409.97 g/mol
Exact Mass409.22
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
SMILESCCCCCCCCNCc1cccc(OC)c1OCc1ccccc1F.Cl
InChIInChI=1S/C23H32FNO2.ClH/c1-3-4-5-6-7-10-16-25-17-19-13-11-15-22(26-2)23(19)27-18-20-12-8-9-14-21(20)24;/h8-9,11-15,25H,3-7,10,16-18H2,1-2H3;1H
InChIKeyVMHWKMSYUSKULV-UHFFFAOYSA-N
XLogP6.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.97
LogP ≤ 56.29
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-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17212617
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17291067
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethane-1,2-diamine
CID 4720389
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291700
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]heptan-1-amine;hydrochloride
CID 17291218
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526346
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
3-butoxy-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17207951

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride (CID 17331211) is N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride is CCCCCCCCNCc1cccc(OC)c1OCc1ccccc1F.Cl.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride?
The InChIKey is VMHWKMSYUSKULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO2.ClH/c1-3-4-5-6-7-10-16-25-17-19-13-11-15-22(26-2)23(19)27-18-20-12-8-9-14-21(20)24;/h8-9,11-15,25H,3-7,10,16-18H2,1-2H3;1H.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride?
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride has a molecular weight of 409.97 g/mol, XLogP of 6.29, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride is sourced from PubChem (CID 17331211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).