1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol

C18H27NO2 — CID 79587666

IUPAC1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOC1CCCc2ccccc21
InChIInChI=1S/C18H27NO2/c19-13-18(20)11-4-7-15(18)10-12-21-17-9-3-6-14-5-1-2-8-16(14)17/h1-2,5,8,15,17,20H,3-4,6-7,9-13,19H2
InChIKeyVWLDXSDWUSEVKJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol (PubChem CID 79587666) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol
PubChem CID79587666
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOC1CCCc2ccccc21
InChIInChI=1S/C18H27NO2/c19-13-18(20)11-4-7-15(18)10-12-21-17-9-3-6-14-5-1-2-8-16(14)17/h1-2,5,8,15,17,20H,3-4,6-7,9-13,19H2
InChIKeyVWLDXSDWUSEVKJ-UHFFFAOYSA-N
XLogP2.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
1-(aminomethyl)-2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cyclopentan-1-ol
CID 79587264
1-(aminomethyl)-2-[2-(3-methylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79588135
1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol
CID 79587545
4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 77062747
1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587994

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol (CID 79587666) is 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCOC1CCCc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol?
The InChIKey is VWLDXSDWUSEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c19-13-18(20)11-4-7-15(18)10-12-21-17-9-3-6-14-5-1-2-8-16(14)17/h1-2,5,8,15,17,20H,3-4,6-7,9-13,19H2.
What are the key properties of 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).