(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol

C20H24N2O — CID 15496455

IUPAC(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)Cc1cn(C)c2ccccc12
InChIInChI=1S/C20H24N2O/c1-15(20(23)16-9-5-4-6-10-16)21(2)13-17-14-22(3)19-12-8-7-11-18(17)19/h4-12,14-15,20,23H,13H2,1-3H3/t15-,20-/m0/s1
InChIKeyHCFLBPPKMGKMBI-YWZLYKJASA-N
MW308.43 g/mol
LogP3.73
Rot. Bonds5

About (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol

(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol (PubChem CID 15496455) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol
PubChem CID15496455
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)Cc1cn(C)c2ccccc12
InChIInChI=1S/C20H24N2O/c1-15(20(23)16-9-5-4-6-10-16)21(2)13-17-14-22(3)19-12-8-7-11-18(17)19/h4-12,14-15,20,23H,13H2,1-3H3/t15-,20-/m0/s1
InChIKeyHCFLBPPKMGKMBI-YWZLYKJASA-N
XLogP3.73
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
CID 101122939
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 54856739
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
CID 65058560
3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole
CID 132532130
2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115124520

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol (CID 15496455) is (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol is C[C@@H]([C@H](O)c1ccccc1)N(C)Cc1cn(C)c2ccccc12.
What is the InChIKey of (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol?
The InChIKey is HCFLBPPKMGKMBI-YWZLYKJASA-N. The full InChI is InChI=1S/C20H24N2O/c1-15(20(23)16-9-5-4-6-10-16)21(2)13-17-14-22(3)19-12-8-7-11-18(17)19/h4-12,14-15,20,23H,13H2,1-3H3/t15-,20-/m0/s1.
What are the key properties of (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol?
(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol has a molecular weight of 308.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 15496455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).