2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine

C17H19BrClNO — CID 82806133

IUPAC2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNCC(OCc1ccccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-2-20-11-17(13-7-5-8-15(19)10-13)21-12-14-6-3-4-9-16(14)18/h3-10,17,20H,2,11-12H2,1H3
InChIKeyWZMQDOIJTWEGHP-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.97
Rot. Bonds7

About 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine

2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine (PubChem CID 82806133) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
PubChem CID82806133
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
SMILESCCNCC(OCc1ccccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-2-20-11-17(13-7-5-8-15(19)10-13)21-12-14-6-3-4-9-16(14)18/h3-10,17,20H,2,11-12H2,1H3
InChIKeyWZMQDOIJTWEGHP-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-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 65124788
1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
CID 63468434
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
CID 65124744
1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene
CID 114772826
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 55036275

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine (CID 82806133) is 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine is CCNCC(OCc1ccccc1Br)c1cccc(Cl)c1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine?
The InChIKey is WZMQDOIJTWEGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-2-20-11-17(13-7-5-8-15(19)10-13)21-12-14-6-3-4-9-16(14)18/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine?
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-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)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 82806133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).