4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline

C18H21N3 — CID 3852812

IUPAC4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H21N3/c1-21(2)14-9-7-13(8-10-14)16(11-19)17-12-20-18-6-4-3-5-15(17)18/h3-10,12,16,20H,11,19H2,1-2H3
InChIKeyDUBXLRJWMBQVJY-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.32
Rot. Bonds4

About 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline

4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline (PubChem CID 3852812) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline
PubChem CID3852812
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H21N3/c1-21(2)14-9-7-13(8-10-14)16(11-19)17-12-20-18-6-4-3-5-15(17)18/h3-10,12,16,20H,11,19H2,1-2H3
InChIKeyDUBXLRJWMBQVJY-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline (CID 3852812) is 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(CN)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is DUBXLRJWMBQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-21(2)14-9-7-13(8-10-14)16(11-19)17-12-20-18-6-4-3-5-15(17)18/h3-10,12,16,20H,11,19H2,1-2H3.
What are the key properties of 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline?
4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 279.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(1H-indol-3-yl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 3852812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).