[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol

C12H17NO — CID 61050687

IUPAC[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
SMILESCCNC1(CO)CCc2ccccc21
InChIInChI=1S/C12H17NO/c1-2-13-12(9-14)8-7-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyBQZFRVNQGAJUGX-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.43
Rot. Bonds3

About [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol

[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol (PubChem CID 61050687) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
PubChem CID61050687
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
SMILESCCNC1(CO)CCc2ccccc21
InChIInChI=1S/C12H17NO/c1-2-13-12(9-14)8-7-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyBQZFRVNQGAJUGX-UHFFFAOYSA-N
XLogP1.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 61048933
1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
CID 75437455
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556
ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234108
1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
CID 75514600
N-[(1R)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-4-methylbenzenesulfonamide
CID 97326025
(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61046616
[1-[(3-methoxy-4-nitrophenyl)methylamino]-2,3-dihydroinden-1-yl]methanol
CID 110009546
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
2-[(1-methyl-2,3-dihydroinden-1-yl)amino]ethanol
CID 130905101

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol (CID 61050687) is [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol is CCNC1(CO)CCc2ccccc21.
What is the InChIKey of [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol?
The InChIKey is BQZFRVNQGAJUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-13-12(9-14)8-7-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol?
[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 61050687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).