(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol

C19H28N2O — CID 708305

IUPAC(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1c(C)n(C[C@H](O)CNC2CCCCC2)c2ccccc12
InChIInChI=1S/C19H28N2O/c1-14-15(2)21(19-11-7-6-10-18(14)19)13-17(22)12-20-16-8-4-3-5-9-16/h6-7,10-11,16-17,20,22H,3-5,8-9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyIWDNSXNDZVLOIC-QGZVFWFLSA-N
MW300.45 g/mol
LogP3.54
Rot. Bonds5

About (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol

(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol (PubChem CID 708305) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
PubChem CID708305
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1c(C)n(C[C@H](O)CNC2CCCCC2)c2ccccc12
InChIInChI=1S/C19H28N2O/c1-14-15(2)21(19-11-7-6-10-18(14)19)13-17(22)12-20-16-8-4-3-5-9-16/h6-7,10-11,16-17,20,22H,3-5,8-9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyIWDNSXNDZVLOIC-QGZVFWFLSA-N
XLogP3.54
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.54
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-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583838
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(cyclohexylamino)propan-2-ol
CID 42589633
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 2939173
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 7124980
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
CID 21235133
1-(2,3-dimethylindol-1-yl)-3-(4-methoxyanilino)propan-2-ol
CID 2896322
(2S)-1-(2,3-dimethylindol-1-yl)-3-(2-methoxyanilino)propan-2-ol
CID 703578
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol (CID 708305) is (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol is Cc1c(C)n(C[C@H](O)CNC2CCCCC2)c2ccccc12.
What is the InChIKey of (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The InChIKey is IWDNSXNDZVLOIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-15(2)21(19-11-7-6-10-18(14)19)13-17(22)12-20-16-8-4-3-5-9-16/h6-7,10-11,16-17,20,22H,3-5,8-9,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol has a molecular weight of 300.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 708305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).