2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol

C16H25BrN2O — CID 82967927

IUPAC2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
SMILESCCCNC(C)c1cc(Br)ccc1N(CCO)C1CC1
InChIInChI=1S/C16H25BrN2O/c1-3-8-18-12(2)15-11-13(17)4-7-16(15)19(9-10-20)14-5-6-14/h4,7,11-12,14,18,20H,3,5-6,8-10H2,1-2H3
InChIKeyGOYZREORYFKION-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.47
Rot. Bonds8

About 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol

2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol (PubChem CID 82967927) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
PubChem CID82967927
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
SMILESCCCNC(C)c1cc(Br)ccc1N(CCO)C1CC1
InChIInChI=1S/C16H25BrN2O/c1-3-8-18-12(2)15-11-13(17)4-7-16(15)19(9-10-20)14-5-6-14/h4,7,11-12,14,18,20H,3,5-6,8-10H2,1-2H3
InChIKeyGOYZREORYFKION-UHFFFAOYSA-N
XLogP3.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
CID 82968101
5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
CID 82968406
2-[5-bromo-N-propan-2-yl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82968704
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
CID 82971713
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol?
The IUPAC name of 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol (CID 82967927) is 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol.
What is the SMILES notation for 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol?
The canonical SMILES for 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol is CCCNC(C)c1cc(Br)ccc1N(CCO)C1CC1.
What is the InChIKey of 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol?
The InChIKey is GOYZREORYFKION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-8-18-12(2)15-11-13(17)4-7-16(15)19(9-10-20)14-5-6-14/h4,7,11-12,14,18,20H,3,5-6,8-10H2,1-2H3.
What are the key properties of 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol?
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol has a molecular weight of 341.29 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol is sourced from PubChem (CID 82967927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).