[[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol

C13H20N2O — CID 59957000

IUPAC[[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol
SMILESNCCC1CCCc2ccc(NCO)cc21
InChIInChI=1S/C13H20N2O/c14-7-6-11-3-1-2-10-4-5-12(15-9-16)8-13(10)11/h4-5,8,11,15-16H,1-3,6-7,9,14H2
InChIKeyYRSUNKISQIYZOM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.82
Rot. Bonds4

About [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol

[[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol (PubChem CID 59957000) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol.

Molecular Properties

Compound Name[[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol
PubChem CID59957000
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol
SMILESNCCC1CCCc2ccc(NCO)cc21
InChIInChI=1S/C13H20N2O/c14-7-6-11-3-1-2-10-4-5-12(15-9-16)8-13(10)11/h4-5,8,11,15-16H,1-3,6-7,9,14H2
InChIKeyYRSUNKISQIYZOM-UHFFFAOYSA-N
XLogP1.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636
2-[7-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 82542874
3-(2-aminoethyl)-2,3-dihydro-1H-inden-5-ol
CID 83827747
3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 19086086
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 589411
3-(2-aminoethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-5-amine
CID 105456837
2-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 82076845
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450

Frequently Asked Questions

What is the IUPAC name of [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol?
The IUPAC name of [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol (CID 59957000) is [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol.
What is the SMILES notation for [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol?
The canonical SMILES for [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol is NCCC1CCCc2ccc(NCO)cc21.
What is the InChIKey of [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol?
The InChIKey is YRSUNKISQIYZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-7-6-11-3-1-2-10-4-5-12(15-9-16)8-13(10)11/h4-5,8,11,15-16H,1-3,6-7,9,14H2.
What are the key properties of [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol?
[[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[8-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]methanol is sourced from PubChem (CID 59957000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).