2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol

C19H24N2O2 — CID 6710542

IUPAC2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
SMILESCCC(CO)NCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-2-14(13-22)20-11-15(23)12-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-10,14-15,20,22-23H,2,11-13H2,1H3
InChIKeyJOFWMVWLYRLQSC-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.52
Rot. Bonds7

About 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol

2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 6710542) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
PubChem CID6710542
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol
SMILESCCC(CO)NCC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H24N2O2/c1-2-14(13-22)20-11-15(23)12-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-10,14-15,20,22-23H,2,11-13H2,1H3
InChIKeyJOFWMVWLYRLQSC-UHFFFAOYSA-N
XLogP2.52
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
(2R)-1-carbazol-9-yl-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 2368013
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
(2S)-2-[[(2R)-2-hydroxy-3-phenothiazin-10-ylpropyl]amino]butan-1-ol
CID 881872
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol (CID 6710542) is 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol is CCC(CO)NCC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is JOFWMVWLYRLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-14(13-22)20-11-15(23)12-21-18-9-5-3-7-16(18)17-8-4-6-10-19(17)21/h3-10,14-15,20,22-23H,2,11-13H2,1H3.
What are the key properties of 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol?
2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 312.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbazol-9-yl-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 6710542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).