1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine

C16H16N2 — CID 11322318

IUPAC1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h2-11,16-18H,1H3
InChIKeyFFYIAWRBSOCSOM-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.48
Rot. Bonds3

About 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine

1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine (PubChem CID 11322318) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
PubChem CID11322318
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H16N2/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h2-11,16-18H,1H3
InChIKeyFFYIAWRBSOCSOM-UHFFFAOYSA-N
XLogP3.48
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 112742650
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
CID 116936685
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-[phenyl(trityloxy)methyl]-1H-indole
CID 134974543
2-[1H-indol-3-yl(methylamino)methyl]butanoic acid
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3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine (CID 11322318) is 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine?
The InChIKey is FFYIAWRBSOCSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-17-16(12-7-3-2-4-8-12)14-11-18-15-10-6-5-9-13(14)15/h2-11,16-18H,1H3.
What are the key properties of 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine?
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine has a molecular weight of 236.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 11322318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).