2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine

C17H19BrClNO — CID 65124744

IUPAC2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
SMILESCCNCC(OCc1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C17H19BrClNO/c1-2-20-11-17(15-5-3-4-6-16(15)18)21-12-13-7-9-14(19)10-8-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyBYCIFTDEVUDXOF-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.97
Rot. Bonds7

About 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine

2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine (PubChem CID 65124744) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
PubChem CID65124744
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
SMILESCCNCC(OCc1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C17H19BrClNO/c1-2-20-11-17(15-5-3-4-6-16(15)18)21-12-13-7-9-14(19)10-8-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyBYCIFTDEVUDXOF-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
2-(2-bromophenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103490191
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763
2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 107897542
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine (CID 65124744) is 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine is CCNCC(OCc1ccc(Cl)cc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine?
The InChIKey is BYCIFTDEVUDXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-2-20-11-17(15-5-3-4-6-16(15)18)21-12-13-7-9-14(19)10-8-13/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine?
2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine has a molecular weight of 368.70 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine is sourced from PubChem (CID 65124744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).