[3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride

C16H19ClN2O — CID 13324734

IUPAC[3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride
SMILESCOc1ccc2c(c1)CCN2c1cccc(CN)c1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-19-15-5-6-16-13(10-15)7-8-18(16)14-4-2-3-12(9-14)11-17;/h2-6,9-10H,7-8,11,17H2,1H3;1H
InChIKeyJVKHBHHBJGWCAB-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.27
Rot. Bonds3

About [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride

[3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride (PubChem CID 13324734) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride
PubChem CID13324734
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name[3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride
SMILESCOc1ccc2c(c1)CCN2c1cccc(CN)c1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-19-15-5-6-16-13(10-15)7-8-18(16)14-4-2-3-12(9-14)11-17;/h2-6,9-10H,7-8,11,17H2,1H3;1H
InChIKeyJVKHBHHBJGWCAB-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium
CID 147153265
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1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide
CID 161296977
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
5-methoxy-1-(3-methylsulfonyl-2-nitrophenyl)-2,3-dihydroindole
CID 133393815
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495
1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661581

Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride (CID 13324734) is [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride is COc1ccc2c(c1)CCN2c1cccc(CN)c1.Cl.
What is the InChIKey of [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride?
The InChIKey is JVKHBHHBJGWCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-19-15-5-6-16-13(10-15)7-8-18(16)14-4-2-3-12(9-14)11-17;/h2-6,9-10H,7-8,11,17H2,1H3;1H.
What are the key properties of [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride?
[3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxy-2,3-dihydroindol-1-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 13324734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).