(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine

C15H15BrFNO — CID 114906102

IUPAC(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-2-19-12-5-3-4-10(8-12)15(18)13-7-6-11(16)9-14(13)17/h3-9,15H,2,18H2,1H3
InChIKeyCXRMMOSWCROAPU-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.03
Rot. Bonds4

About (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine

(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine (PubChem CID 114906102) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
PubChem CID114906102
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2ccc(Br)cc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-2-19-12-5-3-4-10(8-12)15(18)13-7-6-11(16)9-14(13)17/h3-9,15H,2,18H2,1H3
InChIKeyCXRMMOSWCROAPU-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606235
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 107513083
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
CID 55200086
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
1-(4-bromo-2,6-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022348
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine (CID 114906102) is (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine is CCOc1cccc(C(N)c2ccc(Br)cc2F)c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine?
The InChIKey is CXRMMOSWCROAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-19-12-5-3-4-10(8-12)15(18)13-7-6-11(16)9-14(13)17/h3-9,15H,2,18H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine?
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine has a molecular weight of 324.19 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 114906102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).