1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine

C13H19ClN2 — CID 83868807

IUPAC1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine
SMILESCC(N)C1CN(C(C)C)c2c(Cl)cccc21
InChIInChI=1S/C13H19ClN2/c1-8(2)16-7-11(9(3)15)10-5-4-6-12(14)13(10)16/h4-6,8-9,11H,7,15H2,1-3H3
InChIKeyVWGMNXUGPBRYBK-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.00
Rot. Bonds2

About 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine

1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine (PubChem CID 83868807) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine
PubChem CID83868807
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine
SMILESCC(N)C1CN(C(C)C)c2c(Cl)cccc21
InChIInChI=1S/C13H19ClN2/c1-8(2)16-7-11(9(3)15)10-5-4-6-12(14)13(10)16/h4-6,8-9,11H,7,15H2,1-3H3
InChIKeyVWGMNXUGPBRYBK-UHFFFAOYSA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 83909904
7-chloro-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640114
5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382679
(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
CID 29079561
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 105449608
3-(2-chlorophenyl)-1-propan-2-ylazetidine
CID 167307066
(4-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 117200097
6-chloro-2,5-dimethyl-1,3,4,4a,10,10a-hexahydrobenzo[b][1,6]naphthyridin-10-amine
CID 115008334
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356779
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine?
The IUPAC name of 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine (CID 83868807) is 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine.
What is the SMILES notation for 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine?
The canonical SMILES for 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine is CC(N)C1CN(C(C)C)c2c(Cl)cccc21.
What is the InChIKey of 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine?
The InChIKey is VWGMNXUGPBRYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-8(2)16-7-11(9(3)15)10-5-4-6-12(14)13(10)16/h4-6,8-9,11H,7,15H2,1-3H3.
What are the key properties of 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine?
1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine has a molecular weight of 238.76 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine is sourced from PubChem (CID 83868807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).