1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine

C17H18BrClFN — CID 63420097

IUPAC1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Br)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18BrClFN/c1-2-21-13(10-12-6-3-4-7-15(12)18)11-14-16(19)8-5-9-17(14)20/h3-9,13,21H,2,10-11H2,1H3
InChIKeyKBBIVGXDKWNCGY-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.00
Rot. Bonds6

About 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine

1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine (PubChem CID 63420097) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
PubChem CID63420097
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Br)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18BrClFN/c1-2-21-13(10-12-6-3-4-7-15(12)18)11-14-16(19)8-5-9-17(14)20/h3-9,13,21H,2,10-11H2,1H3
InChIKeyKBBIVGXDKWNCGY-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
1-(5-bromo-3-pyridinyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 104801929
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66040411
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine (CID 63420097) is 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1ccccc1Br)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is KBBIVGXDKWNCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-2-21-13(10-12-6-3-4-7-15(12)18)11-14-16(19)8-5-9-17(14)20/h3-9,13,21H,2,10-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine?
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 370.69 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63420097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).