(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol

C18H22N2O — CID 102058988

IUPAC(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](O)Cc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H22N2O/c1-12(2)19-11-14(21)10-13-6-5-9-17-18(13)15-7-3-4-8-16(15)20-17/h3-9,12,14,19-21H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyXIQICAIGBJTODX-CQSZACIVSA-N
MW282.39 g/mol
LogP3.22
Rot. Bonds5

About (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol

(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 102058988) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID102058988
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](O)Cc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H22N2O/c1-12(2)19-11-14(21)10-13-6-5-9-17-18(13)15-7-3-4-8-16(15)20-17/h3-9,12,14,19-21H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyXIQICAIGBJTODX-CQSZACIVSA-N
XLogP3.22
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754
4-(2-naphthalen-1-ylethyl)-9H-carbazole
CID 15607662
3-bromoprop-1-yne;1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;3-(9H-carbazol-4-yloxy)-N-propan-2-yl-2-prop-2-ynoxypropan-1-amine
CID 157267865
1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
CID 162640454
3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 166727731
(2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol
CID 54531034
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
CID 154090543
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol
CID 70472768
4-(2-phenylphenyl)-1-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 12944289
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
1-(1H-indol-3-yl)-3-(methylamino)propan-2-ol
CID 83638401

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol (CID 102058988) is (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@H](O)Cc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is XIQICAIGBJTODX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)19-11-14(21)10-13-6-5-9-17-18(13)15-7-3-4-8-16(15)20-17/h3-9,12,14,19-21H,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 102058988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).