1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol

C27H32N2O3 — CID 56635462

IUPAC1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol
SMILESCC(C)(C)c1ccc(OCCNCC(O)Cc2ccc(O)c3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C27H32N2O3/c1-27(2,3)19-9-11-21(12-10-19)32-15-14-28-17-20(30)16-18-8-13-24(31)25-22-6-4-5-7-23(22)29-26(18)25/h4-13,20,28-31H,14-17H2,1-3H3
InChIKeyHFGJMKRRKIJWJI-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.90
Rot. Bonds8

About 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol

1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol (PubChem CID 56635462) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol.

Molecular Properties

Compound Name1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol
PubChem CID56635462
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol
SMILESCC(C)(C)c1ccc(OCCNCC(O)Cc2ccc(O)c3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C27H32N2O3/c1-27(2,3)19-9-11-21(12-10-19)32-15-14-28-17-20(30)16-18-8-13-24(31)25-22-6-4-5-7-23(22)29-26(18)25/h4-13,20,28-31H,14-17H2,1-3H3
InChIKeyHFGJMKRRKIJWJI-UHFFFAOYSA-N
XLogP4.90
TPSA77.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
CID 54007436
1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
CID 54489309
4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
CID 139768839
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
CID 163589000
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-4-phenylmethoxyphenoxy)ethylamino]propan-2-ol
CID 5235392
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754
1-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]pentan-2-one
CID 23169489
(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
CID 97070492
N-benzyl-2-(4-tert-butylphenoxy)ethanamine;oxalic acid
CID 2934321

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol?
The IUPAC name of 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol (CID 56635462) is 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol.
What is the SMILES notation for 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol?
The canonical SMILES for 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol is CC(C)(C)c1ccc(OCCNCC(O)Cc2ccc(O)c3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol?
The InChIKey is HFGJMKRRKIJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-27(2,3)19-9-11-21(12-10-19)32-15-14-28-17-20(30)16-18-8-13-24(31)25-22-6-4-5-7-23(22)29-26(18)25/h4-13,20,28-31H,14-17H2,1-3H3.
What are the key properties of 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol?
1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol has a molecular weight of 432.56 g/mol, XLogP of 4.90, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol is sourced from PubChem (CID 56635462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).