N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine

C16H15ClN2 — CID 43093889

IUPACN-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11(12-3-2-4-14(17)9-12)19-15-5-6-16-13(10-15)7-8-18-16/h2-11,18-19H,1H3
InChIKeyHQTAELRCRNAGCW-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.99
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine

N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine (PubChem CID 43093889) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine
PubChem CID43093889
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11(12-3-2-4-14(17)9-12)19-15-5-6-16-13(10-15)7-8-18-16/h2-11,18-19H,1H3
InChIKeyHQTAELRCRNAGCW-UHFFFAOYSA-N
XLogP4.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine
CID 43768662
N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
N-(1-thiophen-3-ylethyl)-1H-indol-5-amine
CID 62089795
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(4-propylphenyl)ethyl]-1H-indol-5-amine
CID 43103805
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43768672
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine (CID 43093889) is N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine is CC(Nc1ccc2[nH]ccc2c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine?
The InChIKey is HQTAELRCRNAGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11(12-3-2-4-14(17)9-12)19-15-5-6-16-13(10-15)7-8-18-16/h2-11,18-19H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine?
N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine has a molecular weight of 270.76 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 43093889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).