N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine

C14H19ClN2O — CID 62562539

IUPACN-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O/c1-11(10-18-2)16-6-8-17-7-5-12-3-4-13(15)9-14(12)17/h3-5,7,9,11,16H,6,8,10H2,1-2H3
InChIKeySDTLOZDCEFZFJU-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine

N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 62562539) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID62562539
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O/c1-11(10-18-2)16-6-8-17-7-5-12-3-4-13(15)9-14(12)17/h3-5,7,9,11,16H,6,8,10H2,1-2H3
InChIKeySDTLOZDCEFZFJU-UHFFFAOYSA-N
XLogP2.92
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 63879551
N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
CID 62534294
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 116620454
1-butyl-6-chloroindole
CID 67583801
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116620601
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052
2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
CID 63504515
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
5-(6-chloroindol-1-yl)pentan-2-one
CID 62023769
1-[2-(heptan-2-ylamino)ethyl]indole-6-carbonitrile
CID 107916926

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine (CID 62562539) is N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is SDTLOZDCEFZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(10-18-2)16-6-8-17-7-5-12-3-4-13(15)9-14(12)17/h3-5,7,9,11,16H,6,8,10H2,1-2H3.
What are the key properties of N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 266.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 62562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).