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

C19H25ClFNO2 — CID 17291289

IUPACN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCOc1cccc(CNCC(C)C)c1OCc1ccccc1F.Cl
InChIInChI=1S/C19H24FNO2.ClH/c1-14(2)11-21-12-15-8-6-10-18(22-3)19(15)23-13-16-7-4-5-9-17(16)20;/h4-10,14,21H,11-13H2,1-3H3;1H
InChIKeyKCXLGWZCHWTAKK-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.58
Rot. Bonds8

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

N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 17291289) has the molecular formula C19H25ClFNO2 and a molecular weight of 353.87 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID17291289
Molecular FormulaC19H25ClFNO2
Molecular Weight353.87 g/mol
Exact Mass353.16
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCOc1cccc(CNCC(C)C)c1OCc1ccccc1F.Cl
InChIInChI=1S/C19H24FNO2.ClH/c1-14(2)11-21-12-15-8-6-10-18(22-3)19(15)23-13-16-7-4-5-9-17(16)20;/h4-10,14,21H,11-13H2,1-3H3;1H
InChIKeyKCXLGWZCHWTAKK-UHFFFAOYSA-N
XLogP4.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291700
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716967
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331211
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716969
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291337
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethane-1,2-diamine
CID 4720389
1-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17216203

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride (CID 17291289) is N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride is COc1cccc(CNCC(C)C)c1OCc1ccccc1F.Cl.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is KCXLGWZCHWTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2.ClH/c1-14(2)11-21-12-15-8-6-10-18(22-3)19(15)23-13-16-7-4-5-9-17(16)20;/h4-10,14,21H,11-13H2,1-3H3;1H.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 353.87 g/mol, XLogP of 4.58, 8 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]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17291289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).