1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine

C17H18BrCl2N — CID 63415285

IUPAC1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Br)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18BrCl2N/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
InChIKeyRARXYJGJFJWNLF-UHFFFAOYSA-N
MW387.15 g/mol
LogP5.52
Rot. Bonds6

About 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine

1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine (PubChem CID 63415285) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
PubChem CID63415285
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC Name1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Br)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H18BrCl2N/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
InChIKeyRARXYJGJFJWNLF-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 64714713
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
CID 105087367
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine (CID 63415285) is 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1ccccc1Br)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
The InChIKey is RARXYJGJFJWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/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-(2,6-dichlorophenyl)-N-ethylpropan-2-amine?
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine has a molecular weight of 387.15 g/mol, XLogP of 5.52, 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-(2,6-dichlorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 63415285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).