2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine

C14H19ClN2 — CID 117120452

IUPAC2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
SMILESCC(C)n1c(C(C)(C)N)cc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2/c1-9(2)17-12-7-5-6-11(15)10(12)8-13(17)14(3,4)16/h5-9H,16H2,1-4H3
InChIKeyHGEDUYVCQYHYGB-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.07
Rot. Bonds2

About 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine

2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine (PubChem CID 117120452) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
PubChem CID117120452
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
SMILESCC(C)n1c(C(C)(C)N)cc2c(Cl)cccc21
InChIInChI=1S/C14H19ClN2/c1-9(2)17-12-7-5-6-11(15)10(12)8-13(17)14(3,4)16/h5-9H,16H2,1-4H3
InChIKeyHGEDUYVCQYHYGB-UHFFFAOYSA-N
XLogP4.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropan-2-yl)-1-propan-2-ylindol-4-ol
CID 117120582
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480
3-(4-chloro-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117194534
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
2-(2-hydroxypropan-2-yl)-1-propan-2-ylquinolin-4-one
CID 176548680
2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117196918
1-tert-butyl-4-chloro-2-phenylindole
CID 134835950
4-chloro-1-ethyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117173790
2-(8-chloronaphthalen-2-yl)propan-2-amine
CID 105475106
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine (CID 117120452) is 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine is CC(C)n1c(C(C)(C)N)cc2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine?
The InChIKey is HGEDUYVCQYHYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-9(2)17-12-7-5-6-11(15)10(12)8-13(17)14(3,4)16/h5-9H,16H2,1-4H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine?
2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine has a molecular weight of 250.77 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine is sourced from PubChem (CID 117120452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).