4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline

C23H21ClN2 — CID 102231510

IUPAC4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H21ClN2/c1-26(2)19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)21-15-25-22-13-10-18(24)14-20(21)22/h3-15,23,25H,1-2H3
InChIKeyOYGROXNCBUXTCV-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.07
Rot. Bonds4

About 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline

4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline (PubChem CID 102231510) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
PubChem CID102231510
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H21ClN2/c1-26(2)19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)21-15-25-22-13-10-18(24)14-20(21)22/h3-15,23,25H,1-2H3
InChIKeyOYGROXNCBUXTCV-UHFFFAOYSA-N
XLogP6.07
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline (CID 102231510) is 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccccc2)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
The InChIKey is OYGROXNCBUXTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-26(2)19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)21-15-25-22-13-10-18(24)14-20(21)22/h3-15,23,25H,1-2H3.
What are the key properties of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline has a molecular weight of 360.89 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 102231510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).