1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine

C15H23BrClNO — CID 103029350

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1Cl)CC(C)(C)OC
InChIInChI=1S/C15H23BrClNO/c1-5-18-13(10-15(2,3)19-4)8-11-6-7-12(16)9-14(11)17/h6-7,9,13,18H,5,8,10H2,1-4H3
InChIKeyITVVHTNPJSLPKK-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.44
Rot. Bonds7

About 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine

1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 103029350) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
PubChem CID103029350
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1Cl)CC(C)(C)OC
InChIInChI=1S/C15H23BrClNO/c1-5-18-13(10-15(2,3)19-4)8-11-6-7-12(16)9-14(11)17/h6-7,9,13,18H,5,8,10H2,1-4H3
InChIKeyITVVHTNPJSLPKK-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113471311
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025074
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105181697
1-(4-bromo-2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105181776
[1-(4-bromo-2-chlorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274474
1-(4-bromo-2-chlorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760754
N-ethyl-1-(2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024868
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine (CID 103029350) is 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine is CCNC(Cc1ccc(Br)cc1Cl)CC(C)(C)OC.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is ITVVHTNPJSLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNO/c1-5-18-13(10-15(2,3)19-4)8-11-6-7-12(16)9-14(11)17/h6-7,9,13,18H,5,8,10H2,1-4H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 348.71 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103029350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).