2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline

C16H15ClN2 — CID 171397349

IUPAC2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
SMILESClc1ccccc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H15ClN2/c17-14-6-2-4-8-16(14)18-10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,18-19H,9-10H2
InChIKeyWYLYWILOPQZAOT-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.48
Rot. Bonds4

About 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline

2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline (PubChem CID 171397349) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
PubChem CID171397349
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
SMILESClc1ccccc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H15ClN2/c17-14-6-2-4-8-16(14)18-10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,18-19H,9-10H2
InChIKeyWYLYWILOPQZAOT-UHFFFAOYSA-N
XLogP4.48
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
N'-(2,3-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 3972637
6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
1-(3-chloro-2-methylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 702579
2-(2,5-dichloroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002516
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one
CID 47807847
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline (CID 171397349) is 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline is Clc1ccccc1NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline?
The InChIKey is WYLYWILOPQZAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c17-14-6-2-4-8-16(14)18-10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,18-19H,9-10H2.
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline?
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline has a molecular weight of 270.76 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline is sourced from PubChem (CID 171397349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).