(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine

C17H19BrFN — CID 43096393

IUPAC(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C17H19BrFN/c1-2-3-4-12-5-7-13(8-6-12)17(20)15-11-14(19)9-10-16(15)18/h5-11,17H,2-4,20H2,1H3
InChIKeyIMKSXWNCSZTLPB-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.98
Rot. Bonds5

About (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine

(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine (PubChem CID 43096393) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
PubChem CID43096393
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C17H19BrFN/c1-2-3-4-12-5-7-13(8-6-12)17(20)15-11-14(19)9-10-16(15)18/h5-11,17H,2-4,20H2,1H3
InChIKeyIMKSXWNCSZTLPB-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
CID 63427122
2-bromo-1-[(4-butylphenyl)-chloromethyl]-4-fluorobenzene
CID 63431902
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
2-[bromo-(4-butylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63439662
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
CID 107960521
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
1-bromo-2-[bromo-(4-ethylphenyl)methyl]-4-fluorobenzene
CID 63440295
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine (CID 43096393) is (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine is CCCCc1ccc(C(N)c2cc(F)ccc2Br)cc1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine?
The InChIKey is IMKSXWNCSZTLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-3-4-12-5-7-13(8-6-12)17(20)15-11-14(19)9-10-16(15)18/h5-11,17H,2-4,20H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine?
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine is sourced from PubChem (CID 43096393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).