1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C24H30N2O — CID 56930792

IUPAC1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCC(C)(NCC(O)Cn1c2c(c3ccccc31)CCCC2)c1ccccc1
InChIInChI=1S/C24H30N2O/c1-24(2,18-10-4-3-5-11-18)25-16-19(27)17-26-22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-6,8,10-12,14,19,25,27H,7,9,13,15-17H2,1-2H3
InChIKeyVTJOYWRIYLVMOK-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.41
Rot. Bonds6

About 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 56930792) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID56930792
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCC(C)(NCC(O)Cn1c2c(c3ccccc31)CCCC2)c1ccccc1
InChIInChI=1S/C24H30N2O/c1-24(2,18-10-4-3-5-11-18)25-16-19(27)17-26-22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-6,8,10-12,14,19,25,27H,7,9,13,15-17H2,1-2H3
InChIKeyVTJOYWRIYLVMOK-UHFFFAOYSA-N
XLogP4.41
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.41
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

(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 1096351
(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 797018
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2256274
1-morpholin-4-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 3131870
[(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
(2R)-1-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propan-2-amine
CID 10220009
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
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
CID 167696224
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
(2S)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 35583542

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 56930792) is 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is CC(C)(NCC(O)Cn1c2c(c3ccccc31)CCCC2)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is VTJOYWRIYLVMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-24(2,18-10-4-3-5-11-18)25-16-19(27)17-26-22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-6,8,10-12,14,19,25,27H,7,9,13,15-17H2,1-2H3.
What are the key properties of 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 362.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 56930792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).