2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine

C16H17BrClNO — CID 63498240

IUPAC2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17BrClNO/c1-2-19-11-16(12-6-4-3-5-7-12)20-15-9-8-13(17)10-14(15)18/h3-10,16,19H,2,11H2,1H3
InChIKeyRQCXVDRLDBWJCX-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine

2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine (PubChem CID 63498240) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
PubChem CID63498240
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(Oc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17BrClNO/c1-2-19-11-16(12-6-4-3-5-7-12)20-15-9-8-13(17)10-14(15)18/h3-10,16,19H,2,11H2,1H3
InChIKeyRQCXVDRLDBWJCX-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096
2-(4-chloro-2-methylphenoxy)-N-ethyl-2-phenylethanamine
CID 62458549
N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 62451213
N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63495954
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723
N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine
CID 64721768
4-bromo-2-chloro-1-pentan-3-yloxybenzene
CID 68867581
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 63498772

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine (CID 63498240) is 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine is CCNCC(Oc1ccc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine?
The InChIKey is RQCXVDRLDBWJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-2-19-11-16(12-6-4-3-5-7-12)20-15-9-8-13(17)10-14(15)18/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine?
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 63498240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).