N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine

C32H32N2 — CID 175597722

IUPACN,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine
SMILESCc1c(CCN(Cc2ccccc2)Cc2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C32H32N2/c1-26-30-19-11-12-20-32(30)34(25-29-17-9-4-10-18-29)31(26)21-22-33(23-27-13-5-2-6-14-27)24-28-15-7-3-8-16-28/h2-20H,21-25H2,1H3
InChIKeyVQKRELTUSWUZDA-UHFFFAOYSA-N
MW444.62 g/mol
LogP7.24
Rot. Bonds9

About N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine

N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine (PubChem CID 175597722) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine
PubChem CID175597722
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC NameN,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine
SMILESCc1c(CCN(Cc2ccccc2)Cc2ccccc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C32H32N2/c1-26-30-19-11-12-20-32(30)34(25-29-17-9-4-10-18-29)31(26)21-22-33(23-27-13-5-2-6-14-27)24-28-15-7-3-8-16-28/h2-20H,21-25H2,1H3
InChIKeyVQKRELTUSWUZDA-UHFFFAOYSA-N
XLogP7.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]ethanamine
CID 177394867
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
1-benzylindole-2,3-diamine
CID 142192316
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N,N-dibenzylpropan-1-amine
CID 10840212
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
CID 138396514

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine?
The IUPAC name of N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine (CID 175597722) is N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine.
What is the SMILES notation for N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine?
The canonical SMILES for N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine is Cc1c(CCN(Cc2ccccc2)Cc2ccccc2)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine?
The InChIKey is VQKRELTUSWUZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2/c1-26-30-19-11-12-20-32(30)34(25-29-17-9-4-10-18-29)31(26)21-22-33(23-27-13-5-2-6-14-27)24-28-15-7-3-8-16-28/h2-20H,21-25H2,1H3.
What are the key properties of N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine?
N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine has a molecular weight of 444.62 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(1-benzyl-3-methylindol-2-yl)ethanamine is sourced from PubChem (CID 175597722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).