(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine

C17H19BrFN — CID 115482082

IUPAC(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(F)cc2Br)cc1CC
InChIInChI=1S/C17H19BrFN/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(19)10-16(15)18/h5-10,17H,3-4,20H2,1-2H3
InChIKeyYFZXBRISZOIMFW-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.76
Rot. Bonds4

About (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine

(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine (PubChem CID 115482082) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
PubChem CID115482082
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(F)cc2Br)cc1CC
InChIInChI=1S/C17H19BrFN/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(19)10-16(15)18/h5-10,17H,3-4,20H2,1-2H3
InChIKeyYFZXBRISZOIMFW-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
CID 104657273
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
1-bromo-4-[bromo-(3,4-diethylphenyl)methyl]-2-fluorobenzene
CID 115483032
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799700
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
CID 130619359

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine (CID 115482082) is (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine is CCc1ccc(C(N)c2ccc(F)cc2Br)cc1CC.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine?
The InChIKey is YFZXBRISZOIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(19)10-16(15)18/h5-10,17H,3-4,20H2,1-2H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine?
(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine is sourced from PubChem (CID 115482082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).