[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone

C17H18N2O2 — CID 53212554

IUPAC[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(CN)ccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-21-15-5-3-13(4-6-15)17(20)19-9-8-14-10-12(11-18)2-7-16(14)19/h2-7,10H,8-9,11,18H2,1H3
InChIKeyLLHKQQFSXGCOMH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.36
Rot. Bonds3

About [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone

[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 53212554) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID53212554
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(CN)ccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-21-15-5-3-13(4-6-15)17(20)19-9-8-14-10-12(11-18)2-7-16(14)19/h2-7,10H,8-9,11,18H2,1H3
InChIKeyLLHKQQFSXGCOMH-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-(4-methoxyphenyl)methanone
CID 82339416
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 75429777
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone (CID 53212554) is [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCc3cc(CN)ccc32)cc1.
What is the InChIKey of [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is LLHKQQFSXGCOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-5-3-13(4-6-15)17(20)19-9-8-14-10-12(11-18)2-7-16(14)19/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone?
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53212554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).