(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

C19H24N2O2 — CID 35583856

IUPAC(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNCc1ccco1
InChIInChI=1S/C19H24N2O2/c1-13-6-7-19-18(9-13)14(2)15(3)21(19)12-16(22)10-20-11-17-5-4-8-23-17/h4-9,16,20,22H,10-12H2,1-3H3/t16-/m0/s1
InChIKeyIVBSGDHIIAXBHH-INIZCTEOSA-N
MW312.41 g/mol
LogP3.31
Rot. Bonds6

About (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (PubChem CID 35583856) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
PubChem CID35583856
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNCc1ccco1
InChIInChI=1S/C19H24N2O2/c1-13-6-7-19-18(9-13)14(2)15(3)21(19)12-16(22)10-20-11-17-5-4-8-23-17/h4-9,16,20,22H,10-12H2,1-3H3/t16-/m0/s1
InChIKeyIVBSGDHIIAXBHH-INIZCTEOSA-N
XLogP3.31
TPSA50.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;oxalic acid
CID 2952509
1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 3157338
[(2S)-3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium
CID 25273190
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089152
(2R)-1-(2,3-diphenylbenzo[g]indol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 1036576
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593406
2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62583352

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (CID 35583856) is (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNCc1ccco1.
What is the InChIKey of (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The InChIKey is IVBSGDHIIAXBHH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-6-7-19-18(9-13)14(2)15(3)21(19)12-16(22)10-20-11-17-5-4-8-23-17/h4-9,16,20,22H,10-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
(2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol has a molecular weight of 312.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 35583856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).