N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine

C18H21BrFN — CID 43495490

IUPACN-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H21BrFN/c1-4-7-21-18(14-9-15(19)11-16(20)10-14)17-6-5-12(2)8-13(17)3/h5-6,8-11,18,21H,4,7H2,1-3H3
InChIKeyOQHNLIDKJQLDLP-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.29
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine

N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine (PubChem CID 43495490) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
PubChem CID43495490
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC NameN-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(Br)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H21BrFN/c1-4-7-21-18(14-9-15(19)11-16(20)10-14)17-6-5-12(2)8-13(17)3/h5-6,8-11,18,21H,4,7H2,1-3H3
InChIKeyOQHNLIDKJQLDLP-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016395
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 79722730
N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43629874
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63418754
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 43495516
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(3-bromo-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852310
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine (CID 43495490) is N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(F)cc(Br)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is OQHNLIDKJQLDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-4-7-21-18(14-9-15(19)11-16(20)10-14)17-6-5-12(2)8-13(17)3/h5-6,8-11,18,21H,4,7H2,1-3H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).