1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine

C12H17ClN2 — CID 117198684

IUPAC1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
SMILESCC(N)CC1Cc2c(Cl)cccc2N1C
InChIInChI=1S/C12H17ClN2/c1-8(14)6-9-7-10-11(13)4-3-5-12(10)15(9)2/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyANEYITMDXMFYAP-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine

1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine (PubChem CID 117198684) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
PubChem CID117198684
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
SMILESCC(N)CC1Cc2c(Cl)cccc2N1C
InChIInChI=1S/C12H17ClN2/c1-8(14)6-9-7-10-11(13)4-3-5-12(10)15(9)2/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyANEYITMDXMFYAP-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198605
1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198613
3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116
(5-chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-1-yl)methanamine
CID 105480153
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
1-butan-2-yl-4-chloro-2,3-dihydroindole
CID 70850462
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-6-yl)methanamine
CID 105498592
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine (CID 117198684) is 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine is CC(N)CC1Cc2c(Cl)cccc2N1C.
What is the InChIKey of 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine?
The InChIKey is ANEYITMDXMFYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(14)6-9-7-10-11(13)4-3-5-12(10)15(9)2/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine?
1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine has a molecular weight of 224.74 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine is sourced from PubChem (CID 117198684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).