(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C16H22N2O — CID 1096351

IUPAC(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCNC[C@@H](O)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C16H22N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,17,19H,3,5,7,9-11H2,1H3/t12-/m1/s1
InChIKeyFMMHNMZYUSRVGE-GFCCVEGCSA-N
MW258.37 g/mol
LogP2.10
Rot. Bonds4

About (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 1096351) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID1096351
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCNC[C@@H](O)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C16H22N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,17,19H,3,5,7,9-11H2,1H3/t12-/m1/s1
InChIKeyFMMHNMZYUSRVGE-GFCCVEGCSA-N
XLogP2.10
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 797018
1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 56930792
1-morpholin-4-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 3131870
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2256274
(2R)-1-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propan-2-amine
CID 10220009
[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
CID 7000328
[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
CID 4610587
1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
CID 167696224
1-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 171343794
(2S)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 35583542
(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
CID 42589661
1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
CID 17028370

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 1096351) is (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is CNC[C@@H](O)Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is FMMHNMZYUSRVGE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,17,19H,3,5,7,9-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 1096351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).