[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine

C14H13BrClNO — CID 11267381

IUPAC[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H13BrClNO/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7H,8-9,17H2
InChIKeyYKPADUDRSOXMQB-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.14
Rot. Bonds4

About [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine

[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine (PubChem CID 11267381) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine
PubChem CID11267381
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H13BrClNO/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7H,8-9,17H2
InChIKeyYKPADUDRSOXMQB-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine (CID 11267381) is [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine is NCc1cc(Br)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine?
The InChIKey is YKPADUDRSOXMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7H,8-9,17H2.
What are the key properties of [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine?
[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine has a molecular weight of 326.62 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 11267381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).