2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine

C18H21NO — CID 65404742

IUPAC2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)C2CCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-2-20-15-10-7-14(8-11-15)18(19)17-12-9-13-5-3-4-6-16(13)17/h3-8,10-11,17-18H,2,9,12,19H2,1H3
InChIKeyWJXVZHHUGSUWRG-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.82
Rot. Bonds4

About 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine

2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine (PubChem CID 65404742) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine
PubChem CID65404742
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)C2CCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-2-20-15-10-7-14(8-11-15)18(19)17-12-9-13-5-3-4-6-16(13)17/h3-8,10-11,17-18H,2,9,12,19H2,1H3
InChIKeyWJXVZHHUGSUWRG-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propoxyphenyl)methanamine
CID 64984292
2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
CID 65412498
(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65405327
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
2,3-dihydro-1H-inden-1-yl-(1-ethylimidazol-2-yl)methanamine
CID 65403570
N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
CID 65404758
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethoxyphenyl)methanol
CID 79739385
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine (CID 65404742) is 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine is CCOc1ccc(C(N)C2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine?
The InChIKey is WJXVZHHUGSUWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-20-15-10-7-14(8-11-15)18(19)17-12-9-13-5-3-4-6-16(13)17/h3-8,10-11,17-18H,2,9,12,19H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine?
2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.82, 4 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-(4-ethoxyphenyl)methanamine is sourced from PubChem (CID 65404742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).