3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine

C18H21N3 — CID 159837555

IUPAC3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine
SMILESCN(C)C(Cc1c(N)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H21N3/c1-21(2)17(13-8-4-3-5-9-13)12-15-14-10-6-7-11-16(14)20-18(15)19/h3-11,17,20H,12,19H2,1-2H3
InChIKeyJTVAXHBIHPVINU-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.60
Rot. Bonds4

About 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine

3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine (PubChem CID 159837555) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine
PubChem CID159837555
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine
SMILESCN(C)C(Cc1c(N)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H21N3/c1-21(2)17(13-8-4-3-5-9-13)12-15-14-10-6-7-11-16(14)20-18(15)19/h3-11,17,20H,12,19H2,1-2H3
InChIKeyJTVAXHBIHPVINU-UHFFFAOYSA-N
XLogP3.60
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5284474
3-Amino-1-methyl-5H-pyrido(4,3-b)indole
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LE-300
CID 4350931
2-Phenylindole
CID 13698
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
2-Amino-3-methyl-9H-pyrido(2,3-b)indole
CID 62244
4',6-Diamidino-2-Phenylindole
CID 2954
2,3-diphenyl-1H-indole
CID 77020
Luzindole
CID 122162

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine?
The IUPAC name of 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine (CID 159837555) is 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine.
What is the SMILES notation for 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine?
The canonical SMILES for 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine is CN(C)C(Cc1c(N)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine?
The InChIKey is JTVAXHBIHPVINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-21(2)17(13-8-4-3-5-9-13)12-15-14-10-6-7-11-16(14)20-18(15)19/h3-11,17,20H,12,19H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine?
3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine is sourced from PubChem (CID 159837555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).