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

C15H21ClN2 — CID 82501546

IUPACN-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
SMILESCc1c(CCNC(C)C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H21ClN2/c1-10(2)17-8-7-13-11(3)18(4)15-6-5-12(16)9-14(13)15/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyONPYSJDGXBYBAO-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.68
Rot. Bonds4

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

N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine (PubChem CID 82501546) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
PubChem CID82501546
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
SMILESCc1c(CCNC(C)C)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H21ClN2/c1-10(2)17-8-7-13-11(3)18(4)15-6-5-12(16)9-14(13)15/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyONPYSJDGXBYBAO-UHFFFAOYSA-N
XLogP3.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.68
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-chloro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82501198
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82498818
N-ethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 82495215
2-amino-3-(5-chloro-1,2-dimethylindol-3-yl)propanoic acid
CID 122499642
N-[2-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96679061
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82498244
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 81432956

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine (CID 82501546) is N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine is Cc1c(CCNC(C)C)c2cc(Cl)ccc2n1C.
What is the InChIKey of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
The InChIKey is ONPYSJDGXBYBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10(2)17-8-7-13-11(3)18(4)15-6-5-12(16)9-14(13)15/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine?
N-[2-(5-chloro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine has a molecular weight of 264.80 g/mol, XLogP of 3.68, 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]propan-2-amine is sourced from PubChem (CID 82501546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).