2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine

C16H18N4O2 — CID 162659566

IUPAC2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine
SMILESNC(N)=NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C16H18N4O2/c17-16(18)19-8-10(21)9-22-14-7-3-6-13-15(14)11-4-1-2-5-12(11)20-13/h1-7,10,20-21H,8-9H2,(H4,17,18,19)
InChIKeyHQNGRTLFPBAHAU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.33
Rot. Bonds5

About 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine

2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine (PubChem CID 162659566) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine
PubChem CID162659566
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine
SMILESNC(N)=NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C16H18N4O2/c17-16(18)19-8-10(21)9-22-14-7-3-6-13-15(14)11-4-1-2-5-12(11)20-13/h1-7,10,20-21H,8-9H2,(H4,17,18,19)
InChIKeyHQNGRTLFPBAHAU-UHFFFAOYSA-N
XLogP1.33
TPSA109.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
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-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
CID 162640454
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
4-(2,2-dimethylpropoxy)-9H-carbazole
CID 59827319
1-(9H-carbazol-4-yloxy)-3-[[3-(9H-carbazol-4-yloxy)-2-methylpropyl]-[2-(2-methoxyphenoxy)ethyl]amino]propan-2-ol
CID 71210309
1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
CID 163589000
4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenol
CID 70034270
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
1-(9H-carbazol-4-yloxy)-3-(N-(4,6-dimethylpyrimidin-2-yl)anilino)propan-2-ol
CID 69126271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine?
The IUPAC name of 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine (CID 162659566) is 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine?
The canonical SMILES for 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine is NC(N)=NCC(O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine?
The InChIKey is HQNGRTLFPBAHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-16(18)19-8-10(21)9-22-14-7-3-6-13-15(14)11-4-1-2-5-12(11)20-13/h1-7,10,20-21H,8-9H2,(H4,17,18,19).
What are the key properties of 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine?
2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine has a molecular weight of 298.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 162659566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).