2-chloro-1-[(4-ethylphenyl)methyl]indole

C17H16ClN — CID 90911946

IUPAC2-chloro-1-[(4-ethylphenyl)methyl]indole
SMILESCCc1ccc(Cn2c(Cl)cc3ccccc32)cc1
InChIInChI=1S/C17H16ClN/c1-2-13-7-9-14(10-8-13)12-19-16-6-4-3-5-15(16)11-17(19)18/h3-11H,2,12H2,1H3
InChIKeyHPVANOLALRSTKV-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.91
Rot. Bonds3

About 2-chloro-1-[(4-ethylphenyl)methyl]indole

2-chloro-1-[(4-ethylphenyl)methyl]indole (PubChem CID 90911946) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-chloro-1-[(4-ethylphenyl)methyl]indole.

Molecular Properties

Compound Name2-chloro-1-[(4-ethylphenyl)methyl]indole
PubChem CID90911946
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name2-chloro-1-[(4-ethylphenyl)methyl]indole
SMILESCCc1ccc(Cn2c(Cl)cc3ccccc32)cc1
InChIInChI=1S/C17H16ClN/c1-2-13-7-9-14(10-8-13)12-19-16-6-4-3-5-15(16)11-17(19)18/h3-11H,2,12H2,1H3
InChIKeyHPVANOLALRSTKV-UHFFFAOYSA-N
XLogP4.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
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1-benzylindol-2-amine
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1-[1-[(4-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 107887996
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide
CID 20751562
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880
3-(1-benzylindol-2-yl)propan-1-amine
CID 115107392
1-benzyl-2-ethyl-6-phenylindole
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-ethylphenyl)methyl]indole?
The IUPAC name of 2-chloro-1-[(4-ethylphenyl)methyl]indole (CID 90911946) is 2-chloro-1-[(4-ethylphenyl)methyl]indole.
What is the SMILES notation for 2-chloro-1-[(4-ethylphenyl)methyl]indole?
The canonical SMILES for 2-chloro-1-[(4-ethylphenyl)methyl]indole is CCc1ccc(Cn2c(Cl)cc3ccccc32)cc1.
What is the InChIKey of 2-chloro-1-[(4-ethylphenyl)methyl]indole?
The InChIKey is HPVANOLALRSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-2-13-7-9-14(10-8-13)12-19-16-6-4-3-5-15(16)11-17(19)18/h3-11H,2,12H2,1H3.
What are the key properties of 2-chloro-1-[(4-ethylphenyl)methyl]indole?
2-chloro-1-[(4-ethylphenyl)methyl]indole has a molecular weight of 269.78 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(4-ethylphenyl)methyl]indole is sourced from PubChem (CID 90911946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).