[(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine

C19H19ClN2O — CID 68913115

IUPAC[(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESCOc1ccc2c(c1)[C@@H](CN)C[C@H]2c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C19H19ClN2O/c1-23-12-5-6-13-14(8-12)11(9-21)7-15(13)16-10-22-18-4-2-3-17(20)19(16)18/h2-6,8,10-11,15,22H,7,9,21H2,1H3/t11-,15-/m1/s1
InChIKeyCGGIZGMENFOJFA-IAQYHMDHSA-N
MW326.83 g/mol
LogP4.41
Rot. Bonds3

About [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine

[(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine (PubChem CID 68913115) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine
PubChem CID68913115
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name[(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESCOc1ccc2c(c1)[C@@H](CN)C[C@H]2c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C19H19ClN2O/c1-23-12-5-6-13-14(8-12)11(9-21)7-15(13)16-10-22-18-4-2-3-17(20)19(16)18/h2-6,8,10-11,15,22H,7,9,21H2,1H3/t11-,15-/m1/s1
InChIKeyCGGIZGMENFOJFA-IAQYHMDHSA-N
XLogP4.41
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine with MolForge

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Related Compounds

3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887351
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290
4-chloro-3-piperidin-4-yl-1H-indole
CID 22484023
3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine
CID 117171412
1-[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylmethanamine;[3-(2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]methanamine;dihydrochloride
CID 158525869
(1S,3R)-3-(3,4-dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 10617027
(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine
CID 18466234
(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
CID 14924019
[2-(4-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]methanamine
CID 82384913
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine?
The IUPAC name of [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine (CID 68913115) is [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine.
What is the SMILES notation for [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine?
The canonical SMILES for [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine is COc1ccc2c(c1)[C@@H](CN)C[C@H]2c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine?
The InChIKey is CGGIZGMENFOJFA-IAQYHMDHSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-23-12-5-6-13-14(8-12)11(9-21)7-15(13)16-10-22-18-4-2-3-17(20)19(16)18/h2-6,8,10-11,15,22H,7,9,21H2,1H3/t11-,15-/m1/s1.
What are the key properties of [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine?
[(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine has a molecular weight of 326.83 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(4-chloro-1H-indol-3-yl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methanamine is sourced from PubChem (CID 68913115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).