1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H15ClFNO — CID 834203

IUPAC1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c1-18-9-12-8-13(16)4-7-15(12)19-10-11-2-5-14(17)6-3-11/h2-8,18H,9-10H2,1H3
InChIKeySXAJNLDRZDCMSG-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.78
Rot. Bonds5

About 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 834203) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID834203
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c1-18-9-12-8-13(16)4-7-15(12)19-10-11-2-5-14(17)6-3-11/h2-8,18H,9-10H2,1H3
InChIKeySXAJNLDRZDCMSG-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 834203) is 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is SXAJNLDRZDCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-9-12-8-13(16)4-7-15(12)19-10-11-2-5-14(17)6-3-11/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 834203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).