[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol

C12H17NO — CID 175179853

IUPAC[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol
SMILESCC(N)c1cccc2c1CC(CO)C2
InChIInChI=1S/C12H17NO/c1-8(13)11-4-2-3-10-5-9(7-14)6-12(10)11/h2-4,8-9,14H,5-7,13H2,1H3
InChIKeyVBVMCQSKYQXYOE-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.41
Rot. Bonds2

About [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol

[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol (PubChem CID 175179853) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol.

Molecular Properties

Compound Name[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol
PubChem CID175179853
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol
SMILESCC(N)c1cccc2c1CC(CO)C2
InChIInChI=1S/C12H17NO/c1-8(13)11-4-2-3-10-5-9(7-14)6-12(10)11/h2-4,8-9,14H,5-7,13H2,1H3
InChIKeyVBVMCQSKYQXYOE-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4a-Amino-1,2,3,4,9,9a-hexahydrofluoren-2-yl)methanol
CID 10376060
(1-amino-2,3-dihydro-1H-inden-1-yl)methanol
CID 10702154
(2-Amino-2,3-dihydro-1H-inden-2-yl)methanol
CID 22080542
rac-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol
CID 17039428
3-Amino-3-(3-methylphenyl)propan-1-ol
CID 44890823
beta-Amino-2-methylbenzenepropanol
CID 55263772
3-Amino-2-((2-methylphenyl)methyl)propan-1-ol
CID 24265023
2-amino-2-(2,3-dihydro-1H-inden-1-yl)ethan-1-ol hydrochloride
CID 137966086
(1S,2R)-1-amino-7-methyl-2,3-dihydro-1H-inden-2-ol
CID 10261410
(1-amino-2,3-dihydro-1H-inden-2-yl)methanol
CID 12199373
(1S,2R)-1-Amino-7-isopropyl-2,3-dihydro-1H-inden-2-ol
CID 12987108
2-Amino-2-(2-methylphenyl)ethan-1-ol
CID 18690212

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol?
The IUPAC name of [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol (CID 175179853) is [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol.
What is the SMILES notation for [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol?
The canonical SMILES for [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol is CC(N)c1cccc2c1CC(CO)C2.
What is the InChIKey of [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol?
The InChIKey is VBVMCQSKYQXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(13)11-4-2-3-10-5-9(7-14)6-12(10)11/h2-4,8-9,14H,5-7,13H2,1H3.
What are the key properties of [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol?
[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol is sourced from PubChem (CID 175179853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).