N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine

C17H19BrFNO — CID 105024887

IUPACN-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(C)c1)c1cccc(OC)c1F
InChIInChI=1S/C17H19BrFNO/c1-4-20-17(12-8-9-14(18)11(2)10-12)13-6-5-7-15(21-3)16(13)19/h5-10,17,20H,4H2,1-3H3
InChIKeySLUFCJFDMHJQGC-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.60
Rot. Bonds5

About N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine

N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 105024887) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID105024887
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(C)c1)c1cccc(OC)c1F
InChIInChI=1S/C17H19BrFNO/c1-4-20-17(12-8-9-14(18)11(2)10-12)13-6-5-7-15(21-3)16(13)19/h5-10,17,20H,4H2,1-3H3
InChIKeySLUFCJFDMHJQGC-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine 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

N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(2-fluoro-3-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 82791784
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 105024887) is N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)c(C)c1)c1cccc(OC)c1F.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is SLUFCJFDMHJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-4-20-17(12-8-9-14(18)11(2)10-12)13-6-5-7-15(21-3)16(13)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105024887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).