3-[amino(1H-indol-3-yl)methyl]-N-methylaniline

C16H17N3 — CID 116936685

IUPAC3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H17N3/c1-18-12-6-4-5-11(9-12)16(17)14-10-19-15-8-3-2-7-13(14)15/h2-10,16,18-19H,17H2,1H3
InChIKeyHEGLMJZUVVZPSD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.26
Rot. Bonds3

About 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline

3-[amino(1H-indol-3-yl)methyl]-N-methylaniline (PubChem CID 116936685) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
PubChem CID116936685
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H17N3/c1-18-12-6-4-5-11(9-12)16(17)14-10-19-15-8-3-2-7-13(14)15/h2-10,16,18-19H,17H2,1H3
InChIKeyHEGLMJZUVVZPSD-UHFFFAOYSA-N
XLogP3.26
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino-(2-bromophenyl)methyl]-N-methylaniline
CID 116936726
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline
CID 134960683
3-amino-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
CID 59878227
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-N-methylaniline
CID 134960682

Frequently Asked Questions

What is the IUPAC name of 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline?
The IUPAC name of 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline (CID 116936685) is 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline?
The canonical SMILES for 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline is CNc1cccc(C(N)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline?
The InChIKey is HEGLMJZUVVZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-18-12-6-4-5-11(9-12)16(17)14-10-19-15-8-3-2-7-13(14)15/h2-10,16,18-19H,17H2,1H3.
What are the key properties of 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline?
3-[amino(1H-indol-3-yl)methyl]-N-methylaniline has a molecular weight of 251.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(1H-indol-3-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116936685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).