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

C16H17BrFN — CID 114906021

IUPAC(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFN/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16H,2,4,19H2,1H3
InChIKeyBQVJYKJPHIVAKM-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.59
Rot. Bonds4

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

(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine (PubChem CID 114906021) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
PubChem CID114906021
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2ccc(Br)cc2F)c1
InChIInChI=1S/C16H17BrFN/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16H,2,4,19H2,1H3
InChIKeyBQVJYKJPHIVAKM-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-2-fluorophenyl)-(3-propylphenyl)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

(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542467
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542464
(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
CID 116544831
[(4-bromo-2-methylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340454
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine (CID 114906021) is (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2ccc(Br)cc2F)c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine?
The InChIKey is BQVJYKJPHIVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-2-4-11-5-3-6-12(9-11)16(19)14-8-7-13(17)10-15(14)18/h3,5-10,16H,2,4,19H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine?
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine has a molecular weight of 322.22 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 114906021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).