2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine

C17H19NO — CID 65412498

IUPAC2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)C2CCc3ccccc32)c1
InChIInChI=1S/C17H19NO/c1-19-14-7-4-6-13(11-14)17(18)16-10-9-12-5-2-3-8-15(12)16/h2-8,11,16-17H,9-10,18H2,1H3
InChIKeyWZAYSZJRPYKKFU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.42
Rot. Bonds3

About 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine

2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine (PubChem CID 65412498) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
PubChem CID65412498
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)C2CCc3ccccc32)c1
InChIInChI=1S/C17H19NO/c1-19-14-7-4-6-13(11-14)17(18)16-10-9-12-5-2-3-8-15(12)16/h2-8,11,16-17H,9-10,18H2,1H3
InChIKeyWZAYSZJRPYKKFU-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
CID 64984334
(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine
CID 65404742
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65410340
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 111386411
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026125
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484
2-(3-propan-2-ylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43103826

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine (CID 65412498) is 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)C2CCc3ccccc32)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine?
The InChIKey is WZAYSZJRPYKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-14-7-4-6-13(11-14)17(18)16-10-9-12-5-2-3-8-15(12)16/h2-8,11,16-17H,9-10,18H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine?
2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine has a molecular weight of 253.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 65412498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).