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

C18H22Cl2FNO — CID 2942115

IUPACN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C18H21ClFNO.ClH/c1-18(2,3)21-11-14-10-15(19)8-9-17(14)22-12-13-6-4-5-7-16(13)20;/h4-10,21H,11-12H2,1-3H3;1H
InChIKeyYYFQSGRKWDLSMA-UHFFFAOYSA-N
MW358.28 g/mol
LogP5.37
Rot. Bonds5

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

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 2942115) 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-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID2942115
Molecular FormulaC18H22Cl2FNO
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C18H21ClFNO.ClH/c1-18(2,3)21-11-14-10-15(19)8-9-17(14)22-12-13-6-4-5-7-16(13)20;/h4-10,21H,11-12H2,1-3H3;1H
InChIKeyYYFQSGRKWDLSMA-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.28
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (CID 2942115) is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride is CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F.Cl.
What is the InChIKey of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is YYFQSGRKWDLSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO.ClH/c1-18(2,3)21-11-14-10-15(19)8-9-17(14)22-12-13-6-4-5-7-16(13)20;/h4-10,21H,11-12H2,1-3H3;1H.
What are the key properties of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 358.28 g/mol, XLogP of 5.37, 5 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-2-amine;hydrochloride is sourced from PubChem (CID 2942115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).