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

C18H21ClFNO — CID 833954

IUPACN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C18H21ClFNO/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
InChIKeyYWKHXTRVMSFKNS-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.95
Rot. Bonds5

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

N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 833954) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID833954
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC NameN-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C18H21ClFNO/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
InChIKeyYWKHXTRVMSFKNS-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.95
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?
The IUPAC name of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 833954) is N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1F.
What is the InChIKey of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YWKHXTRVMSFKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO/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.
What are the key properties of N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 321.82 g/mol, XLogP of 4.95, 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 is sourced from PubChem (CID 833954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).