5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine

C13H19NO — CID 3016739

IUPAC5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)CCC2NC(C)C
InChIInChI=1S/C13H19NO/c1-9(2)14-13-7-4-10-8-11(15-3)5-6-12(10)13/h5-6,8-9,13-14H,4,7H2,1-3H3
InChIKeyXWRFGUJJTUYOPT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds3

About 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine

5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 3016739) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID3016739
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)CCC2NC(C)C
InChIInChI=1S/C13H19NO/c1-9(2)14-13-7-4-10-8-11(15-3)5-6-12(10)13/h5-6,8-9,13-14H,4,7H2,1-3H3
InChIKeyXWRFGUJJTUYOPT-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ladostigil
CID 208907
6-Methoxy-1,2,3,4-tetrahydroisoquinoline
CID 39356
1H-Inden-2-amine, 2,3-dihydro-5,6-dimethoxy-N,N-dipropyl-
CID 5626
3-amino-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate
CID 10934114
N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 10133403
N-(4-methoxybenzyl)cyclohexanamine
CID 274796
4-Methoxy-2,3-dihydro-1H-inden-1-amine
CID 3016741
7-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 15940011
2-Amino-5-methoxyindan
CID 12147687
3-(methylamino)-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate
CID 10890965
1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methylcarbamate
CID 11012293
3-(methylamino)-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate
CID 11021981

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine (CID 3016739) is 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)CCC2NC(C)C.
What is the InChIKey of 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XWRFGUJJTUYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)14-13-7-4-10-8-11(15-3)5-6-12(10)13/h5-6,8-9,13-14H,4,7H2,1-3H3.
What are the key properties of 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine?
5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 3016739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).