(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine

C20H26N2 — CID 58838563

IUPAC(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@H](c1ccccc1)N1CC(C)(C)c2ccccc21
InChIInChI=1S/C20H26N2/c1-20(2)15-22(19-12-8-7-11-17(19)20)18(13-14-21-3)16-9-5-4-6-10-16/h4-12,18,21H,13-15H2,1-3H3/t18-/m1/s1
InChIKeyVOPSXICUBLWQCI-GOSISDBHSA-N
MW294.44 g/mol
LogP4.14
Rot. Bonds5

About (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine

(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 58838563) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID58838563
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@H](c1ccccc1)N1CC(C)(C)c2ccccc21
InChIInChI=1S/C20H26N2/c1-20(2)15-22(19-12-8-7-11-17(19)20)18(13-14-21-3)16-9-5-4-6-10-16/h4-12,18,21H,13-15H2,1-3H3/t18-/m1/s1
InChIKeyVOPSXICUBLWQCI-GOSISDBHSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclopropyl-2H-benzimidazol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 174549485
(3R)-3-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 137443164
2-(3,3-dimethyl-2H-indol-1-yl)butan-1-ol
CID 118050153
(1S,2R)-1-(3-chloro-5-fluorophenyl)-1-(3,3-dimethyl-2H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 58837432
3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile
CID 137452048
N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
CID 141401683
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 137442813
(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine
CID 174549501
(3R)-3-(5-methoxy-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 137443102
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 63218346

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine (CID 58838563) is (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine is CNCC[C@H](c1ccccc1)N1CC(C)(C)c2ccccc21.
What is the InChIKey of (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is VOPSXICUBLWQCI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2/c1-20(2)15-22(19-12-8-7-11-17(19)20)18(13-14-21-3)16-9-5-4-6-10-16/h4-12,18,21H,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine?
(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58838563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).