3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine

C18H21BrFN — CID 79422309

IUPAC3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(F)ccc1Br)c1cccc(C)c1
InChIInChI=1S/C18H21BrFN/c1-3-21-12-16(14-6-4-5-13(2)9-14)10-15-11-17(20)7-8-18(15)19/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyIWFHGMMFAQMVHV-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.83
Rot. Bonds6

About 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine

3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 79422309) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
PubChem CID79422309
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(F)ccc1Br)c1cccc(C)c1
InChIInChI=1S/C18H21BrFN/c1-3-21-12-16(14-6-4-5-13(2)9-14)10-15-11-17(20)7-8-18(15)19/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyIWFHGMMFAQMVHV-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (CID 79422309) is 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is CCNCC(Cc1cc(F)ccc1Br)c1cccc(C)c1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is IWFHGMMFAQMVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-3-21-12-16(14-6-4-5-13(2)9-14)10-15-11-17(20)7-8-18(15)19/h4-9,11,16,21H,3,10,12H2,1-2H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79422309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).