2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol

C30H31N3O3 — CID 70187925

IUPAC2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol
SMILESCNc1cc(C(CO)NCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C30H31N3O3/c1-31-28-17-22(11-14-30(28)36-20-21-7-3-2-4-8-21)29(19-34)32-15-16-35-23-12-13-25-24-9-5-6-10-26(24)33-27(25)18-23/h2-14,17-18,29,31-34H,15-16,19-20H2,1H3
InChIKeyLROKEEBMYVWKQU-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.64
Rot. Bonds11

About 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol

2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol (PubChem CID 70187925) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol.

Molecular Properties

Compound Name2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol
PubChem CID70187925
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol
SMILESCNc1cc(C(CO)NCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C30H31N3O3/c1-31-28-17-22(11-14-30(28)36-20-21-7-3-2-4-8-21)29(19-34)32-15-16-35-23-12-13-25-24-9-5-6-10-26(24)33-27(25)18-23/h2-14,17-18,29,31-34H,15-16,19-20H2,1H3
InChIKeyLROKEEBMYVWKQU-UHFFFAOYSA-N
XLogP5.64
TPSA78.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 11734879
2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-(2-fluorophenyl)ethanol
CID 70187861
5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-N,N-dimethyl-2-phenylmethoxybenzenesulfonamide
CID 18615207
7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole
CID 22111223
2-N-[2-(9H-carbazol-2-yloxy)ethyl]benzene-1,2-diamine
CID 173239314
3-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-hydroxyethyl]amino]ethoxy]dibenzothiophene
CID 18615081
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide
CID 18615264
N-[5-[2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]-1-hydroxyethyl]-2-chlorophenyl]methanesulfonamide;ethane
CID 142048383
N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine
CID 10132371
[2-[1-(9H-carbazol-2-yloxy)propan-2-ylamino]phenyl]methanol;hydrochloride
CID 18615090
N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
CID 70412672
1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol
CID 160532929

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol?
The IUPAC name of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol (CID 70187925) is 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol.
What is the SMILES notation for 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol?
The canonical SMILES for 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol is CNc1cc(C(CO)NCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1OCc1ccccc1.
What is the InChIKey of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol?
The InChIKey is LROKEEBMYVWKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-31-28-17-22(11-14-30(28)36-20-21-7-3-2-4-8-21)29(19-34)32-15-16-35-23-12-13-25-24-9-5-6-10-26(24)33-27(25)18-23/h2-14,17-18,29,31-34H,15-16,19-20H2,1H3.
What are the key properties of 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol?
2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol has a molecular weight of 481.60 g/mol, XLogP of 5.64, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-2-yloxy)ethylamino]-2-[3-(methylamino)-4-phenylmethoxyphenyl]ethanol is sourced from PubChem (CID 70187925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).