N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline

C27H28N2 — CID 139374400

IUPACN-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline
SMILESC=C(c1cn(CCC)c2cc(C)ccc12)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2/c1-4-17-29-19-25(24-16-15-20(2)18-26(24)29)21(3)27(22-11-7-5-8-12-22)28-23-13-9-6-10-14-23/h5-16,18-19,27-28H,3-4,17H2,1-2H3
InChIKeyRTGFFVHMFYEQKS-UHFFFAOYSA-N
MW380.53 g/mol
LogP7.23
Rot. Bonds7

About N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline

N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline (PubChem CID 139374400) has the molecular formula C27H28N2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline.

Molecular Properties

Compound NameN-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline
PubChem CID139374400
Molecular FormulaC27H28N2
Molecular Weight380.53 g/mol
Exact Mass380.23
IUPAC NameN-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline
SMILESC=C(c1cn(CCC)c2cc(C)ccc12)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2/c1-4-17-29-19-25(24-16-15-20(2)18-26(24)29)21(3)27(22-11-7-5-8-12-22)28-23-13-9-6-10-14-23/h5-16,18-19,27-28H,3-4,17H2,1-2H3
InChIKeyRTGFFVHMFYEQKS-UHFFFAOYSA-N
XLogP7.23
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline?
The IUPAC name of N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline (CID 139374400) is N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline.
What is the SMILES notation for N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline?
The canonical SMILES for N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline is C=C(c1cn(CCC)c2cc(C)ccc12)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline?
The InChIKey is RTGFFVHMFYEQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-4-17-29-19-25(24-16-15-20(2)18-26(24)29)21(3)27(22-11-7-5-8-12-22)28-23-13-9-6-10-14-23/h5-16,18-19,27-28H,3-4,17H2,1-2H3.
What are the key properties of N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline?
N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline has a molecular weight of 380.53 g/mol, XLogP of 7.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline is sourced from PubChem (CID 139374400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).