1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine

C12H17ClN2O — CID 83868514

IUPAC1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
SMILESCOc1ccc(Cl)c2c1NCC2CC(C)N
InChIInChI=1S/C12H17ClN2O/c1-7(14)5-8-6-15-12-10(16-2)4-3-9(13)11(8)12/h3-4,7-8,15H,5-6,14H2,1-2H3
InChIKeyKVNKKFINCNGVND-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine

1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine (PubChem CID 83868514) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
PubChem CID83868514
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
SMILESCOc1ccc(Cl)c2c1NCC2CC(C)N
InChIInChI=1S/C12H17ClN2O/c1-7(14)5-8-6-15-12-10(16-2)4-3-9(13)11(8)12/h3-4,7-8,15H,5-6,14H2,1-2H3
InChIKeyKVNKKFINCNGVND-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol
CID 83868546
3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
CID 82234613
2-(7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276698
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 104546591
1-(4-methoxy-2,3-dihydro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117200409
9-methoxy-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217600
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
4-(3-chloro-4-methoxyphenyl)sulfanylbutan-2-amine
CID 117032711
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 18386395

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine (CID 83868514) is 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine is COc1ccc(Cl)c2c1NCC2CC(C)N.
What is the InChIKey of 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
The InChIKey is KVNKKFINCNGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-7(14)5-8-6-15-12-10(16-2)4-3-9(13)11(8)12/h3-4,7-8,15H,5-6,14H2,1-2H3.
What are the key properties of 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine?
1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine has a molecular weight of 240.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 83868514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).