2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol

C15H25BrN2O — CID 82968775

IUPAC2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
SMILESCCNC(C)c1ccc(Br)cc1N(CCO)C(C)C
InChIInChI=1S/C15H25BrN2O/c1-5-17-12(4)14-7-6-13(16)10-15(14)18(8-9-19)11(2)3/h6-7,10-12,17,19H,5,8-9H2,1-4H3
InChIKeyKYANTOHHTVGAEZ-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.33
Rot. Bonds7

About 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol

2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol (PubChem CID 82968775) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
PubChem CID82968775
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
SMILESCCNC(C)c1ccc(Br)cc1N(CCO)C(C)C
InChIInChI=1S/C15H25BrN2O/c1-5-17-12(4)14-7-6-13(16)10-15(14)18(8-9-19)11(2)3/h6-7,10-12,17,19H,5,8-9H2,1-4H3
InChIKeyKYANTOHHTVGAEZ-UHFFFAOYSA-N
XLogP3.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-N-propan-2-yl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82968704
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
CID 82956232
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
CID 82968474
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763
1-[4-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]-N-ethylethanamine
CID 82969017
4-bromo-2-[1-(ethylamino)ethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 82967945

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol (CID 82968775) is 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol is CCNC(C)c1ccc(Br)cc1N(CCO)C(C)C.
What is the InChIKey of 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol?
The InChIKey is KYANTOHHTVGAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-5-17-12(4)14-7-6-13(16)10-15(14)18(8-9-19)11(2)3/h6-7,10-12,17,19H,5,8-9H2,1-4H3.
What are the key properties of 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol?
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol has a molecular weight of 329.28 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 82968775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).