N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine

C15H19ClN2 — CID 82501198

IUPACN-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
SMILESCc1c(CCNC2CC2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN2/c1-10-13(7-8-17-12-4-5-12)14-9-11(16)3-6-15(14)18(10)2/h3,6,9,12,17H,4-5,7-8H2,1-2H3
InChIKeyRCUPNWWFWGNIGX-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine

N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine (PubChem CID 82501198) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
PubChem CID82501198
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
SMILESCc1c(CCNC2CC2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN2/c1-10-13(7-8-17-12-4-5-12)14-9-11(16)3-6-15(14)18(10)2/h3,6,9,12,17H,4-5,7-8H2,1-2H3
InChIKeyRCUPNWWFWGNIGX-UHFFFAOYSA-N
XLogP3.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82498244
N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96679061
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82501546
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684
2-amino-3-(5-chloro-1,2-dimethylindol-3-yl)propanoic acid
CID 122499642
N-[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84639383
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine (CID 82501198) is N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine is Cc1c(CCNC2CC2)c2cc(Cl)ccc2n1C.
What is the InChIKey of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
The InChIKey is RCUPNWWFWGNIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10-13(7-8-17-12-4-5-12)14-9-11(16)3-6-15(14)18(10)2/h3,6,9,12,17H,4-5,7-8H2,1-2H3.
What are the key properties of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine?
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine has a molecular weight of 262.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 82501198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).