2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol

C19H20BrClN2O — CID 11189002

IUPAC2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
SMILESCC(Cc1c[nH]c2cc(Br)ccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O/c1-12(22-11-19(24)13-3-2-4-16(21)8-13)7-14-10-23-18-9-15(20)5-6-17(14)18/h2-6,8-10,12,19,22-24H,7,11H2,1H3
InChIKeyAMXCZKDZJXBRRY-UHFFFAOYSA-N
MW407.74 g/mol
LogP4.84
Rot. Bonds6

About 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol

2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol (PubChem CID 11189002) has the molecular formula C19H20BrClN2O and a molecular weight of 407.74 g/mol. Its IUPAC name is 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
PubChem CID11189002
Molecular FormulaC19H20BrClN2O
Molecular Weight407.74 g/mol
Exact Mass406.04
IUPAC Name2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
SMILESCC(Cc1c[nH]c2cc(Br)ccc12)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O/c1-12(22-11-19(24)13-3-2-4-16(21)8-13)7-14-10-23-18-9-15(20)5-6-17(14)18/h2-6,8-10,12,19,22-24H,7,11H2,1H3
InChIKeyAMXCZKDZJXBRRY-UHFFFAOYSA-N
XLogP4.84
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
CID 11324939
methyl 2-[[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-6-yl]oxy]acetate
CID 11362991
2-[1-(6-bromo-1-benzothiophen-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 139692015
3-[(2R)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indole-7-carboxylic acid
CID 69457737
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
(4-benzylpiperidin-1-yl)-[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]methanone
CID 69459138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
The IUPAC name of 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol (CID 11189002) is 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol is CC(Cc1c[nH]c2cc(Br)ccc12)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
The InChIKey is AMXCZKDZJXBRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O/c1-12(22-11-19(24)13-3-2-4-16(21)8-13)7-14-10-23-18-9-15(20)5-6-17(14)18/h2-6,8-10,12,19,22-24H,7,11H2,1H3.
What are the key properties of 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol?
2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol has a molecular weight of 407.74 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 11189002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).