3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine

C17H18BrClFN — CID 106763459

IUPAC3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1ccc(Br)c(Cl)c1F)c1ccccc1
InChIInChI=1S/C17H18BrClFN/c1-2-21-15(12-6-4-3-5-7-12)11-9-13-8-10-14(18)16(19)17(13)20/h3-8,10,15,21H,2,9,11H2,1H3
InChIKeyPRWNZFYSFLVKBQ-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.53
Rot. Bonds6

About 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine

3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine (PubChem CID 106763459) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
PubChem CID106763459
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1ccc(Br)c(Cl)c1F)c1ccccc1
InChIInChI=1S/C17H18BrClFN/c1-2-21-15(12-6-4-3-5-7-12)11-9-13-8-10-14(18)16(19)17(13)20/h3-8,10,15,21H,2,9,11H2,1H3
InChIKeyPRWNZFYSFLVKBQ-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106646599
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 106762446
1-(4-bromo-3-chloro-2-fluorophenyl)-N,4-dimethylpentan-3-amine
CID 106763451
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 106764869
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 167530134

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine (CID 106763459) is 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine is CCNC(CCc1ccc(Br)c(Cl)c1F)c1ccccc1.
What is the InChIKey of 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is PRWNZFYSFLVKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-2-21-15(12-6-4-3-5-7-12)11-9-13-8-10-14(18)16(19)17(13)20/h3-8,10,15,21H,2,9,11H2,1H3.
What are the key properties of 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine?
3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 106763459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).