N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride

C18H22Cl2FNO — CID 17291343

IUPACN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1cc(Cl)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C18H21ClFNO.ClH/c1-13(2)10-21-11-15-9-16(19)7-8-18(15)22-12-14-5-3-4-6-17(14)20;/h3-9,13,21H,10-12H2,1-2H3;1H
InChIKeyHPRCRBNLYBVOEX-UHFFFAOYSA-N
MW358.28 g/mol
LogP5.23
Rot. Bonds7

About N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 17291343) has the molecular formula C18H22Cl2FNO and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID17291343
Molecular FormulaC18H22Cl2FNO
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1cc(Cl)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C18H21ClFNO.ClH/c1-13(2)10-21-11-15-9-16(19)7-8-18(15)22-12-14-5-3-4-6-17(14)20;/h3-9,13,21H,10-12H2,1-2H3;1H
InChIKeyHPRCRBNLYBVOEX-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717120
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
2-[2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720990
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718771
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295476
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210488
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291337
N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057553

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride (CID 17291343) is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride is CC(C)CNCc1cc(Cl)ccc1OCc1ccccc1F.Cl.
What is the InChIKey of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is HPRCRBNLYBVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO.ClH/c1-13(2)10-21-11-15-9-16(19)7-8-18(15)22-12-14-5-3-4-6-17(14)20;/h3-9,13,21H,10-12H2,1-2H3;1H.
What are the key properties of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 358.28 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17291343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).