2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol

C22H21N3O4 — CID 18615237

IUPAC2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cccc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)c1
InChIInChI=1S/C22H21N3O4/c26-22(15-4-3-5-16(12-15)25(27)28)14-23-10-11-29-17-8-9-19-18-6-1-2-7-20(18)24-21(19)13-17/h1-9,12-13,22-24,26H,10-11,14H2
InChIKeyMLUIHKSMGSSIAZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.93
Rot. Bonds8

About 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol

2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol (PubChem CID 18615237) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol
PubChem CID18615237
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cccc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)c1
InChIInChI=1S/C22H21N3O4/c26-22(15-4-3-5-16(12-15)25(27)28)14-23-10-11-29-17-8-9-19-18-6-1-2-7-20(18)24-21(19)13-17/h1-9,12-13,22-24,26H,10-11,14H2
InChIKeyMLUIHKSMGSSIAZ-UHFFFAOYSA-N
XLogP3.93
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-[3-(dimethylsulfamoylamino)phenyl]-2-hydroxyethyl]amino]ethoxy]-9H-carbazole
CID 18615068
N-[3-[1-hydroxy-2-[2-[(7-phenyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70034382
N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 70037263
N-[3-[1-hydroxy-2-[2-[(6-hydroxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 18380520
5-[(1R)-2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N-methyl-2-oxo-1,3-benzoxazole-3-sulfonamide
CID 142649023
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
CID 18615207
N-[3-[(1R)-2-[2-[[7-(dimethylamino)-9H-carbazol-2-yl]oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 70035004
2-(ethylamino)-1-(3-nitrophenyl)ethanol
CID 44719347
N-[3-[(1R)-1-hydroxy-2-[2-[[2-(2-methoxyethyl)-3-methyl-1H-indol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10115583
N-[3-[(1R)-2-[2-[[3-(2-aminoethyl)-2-methyl-1H-indol-6-yl]oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 10204024
N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 70036087
N-[3-[2-[2-[(2-tert-butyl-3-methyl-1H-indol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide;hydrochloride
CID 22141413

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol?
The IUPAC name of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol (CID 18615237) is 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol.
What is the SMILES notation for 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol?
The canonical SMILES for 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol is O=[N+]([O-])c1cccc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)c1.
What is the InChIKey of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol?
The InChIKey is MLUIHKSMGSSIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-22(15-4-3-5-16(12-15)25(27)28)14-23-10-11-29-17-8-9-19-18-6-1-2-7-20(18)24-21(19)13-17/h1-9,12-13,22-24,26H,10-11,14H2.
What are the key properties of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol?
2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol has a molecular weight of 391.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-(3-nitrophenyl)ethanol is sourced from PubChem (CID 18615237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).