N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline

C24H24N2 — CID 71677022

IUPACN-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline
SMILESCC(CN(Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2/c1-19(20-10-4-2-5-11-20)17-26(22-12-6-3-7-13-22)18-21-16-25-24-15-9-8-14-23(21)24/h2-16,19,25H,17-18H2,1H3
InChIKeyOWUPTAZEPQQUSB-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.98
Rot. Bonds6

About N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline

N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline (PubChem CID 71677022) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline
PubChem CID71677022
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC NameN-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline
SMILESCC(CN(Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2/c1-19(20-10-4-2-5-11-20)17-26(22-12-6-3-7-13-22)18-21-16-25-24-15-9-8-14-23(21)24/h2-16,19,25H,17-18H2,1H3
InChIKeyOWUPTAZEPQQUSB-UHFFFAOYSA-N
XLogP5.98
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
CID 101122939
N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 156849664
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
3-(2-fluoropropyl)-1H-indole
CID 142409179
1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
CID 71677029
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
3-(1-phenylethylsulfanyl)-1H-indole
CID 43949396

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline?
The IUPAC name of N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline (CID 71677022) is N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline is CC(CN(Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline?
The InChIKey is OWUPTAZEPQQUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-19(20-10-4-2-5-11-20)17-26(22-12-6-3-7-13-22)18-21-16-25-24-15-9-8-14-23(21)24/h2-16,19,25H,17-18H2,1H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline?
N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline has a molecular weight of 340.47 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 71677022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).