4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline

C22H18Cl2N2 — CID 66550229

IUPAC4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline
SMILESCc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C22H18Cl2N2/c1-14-21(18-7-3-5-9-20(18)25-14)22(17-6-2-4-8-19(17)24)26-16-12-10-15(23)11-13-16/h2-13,22,25-26H,1H3
InChIKeyFYALZEQZMVNQCR-UHFFFAOYSA-N
MW381.31 g/mol
LogP6.98
Rot. Bonds4

About 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline

4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline (PubChem CID 66550229) has the molecular formula C22H18Cl2N2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline
PubChem CID66550229
Molecular FormulaC22H18Cl2N2
Molecular Weight381.31 g/mol
Exact Mass380.08
IUPAC Name4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline
SMILESCc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C22H18Cl2N2/c1-14-21(18-7-3-5-9-20(18)25-14)22(17-6-2-4-8-19(17)24)26-16-12-10-15(23)11-13-16/h2-13,22,25-26H,1H3
InChIKeyFYALZEQZMVNQCR-UHFFFAOYSA-N
XLogP6.98
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 77379
ST-1936
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2-Phenyl-3-piperidin-3-yl-1H-indole
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3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole
CID 10091189
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
C.I. Basic Orange 21
CID 6433357
2,3,4,9-Tetrahydro-1-(phenylmethyl)-1H-pyrido(3,4-b)indole
CID 71167
N,N-Dimethyl-4-(2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)benzenamine
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5-Chloro-2-methylindole
CID 70636
3-Chlorocarbazole
CID 520302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline (CID 66550229) is 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline is Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline?
The InChIKey is FYALZEQZMVNQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2/c1-14-21(18-7-3-5-9-20(18)25-14)22(17-6-2-4-8-19(17)24)26-16-12-10-15(23)11-13-16/h2-13,22,25-26H,1H3.
What are the key properties of 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline?
4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline has a molecular weight of 381.31 g/mol, XLogP of 6.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline is sourced from PubChem (CID 66550229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).