(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine

C13H20N2O — CID 66517730

IUPAC(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C13H20N2O/c14-9-13(15)10-4-3-7-12(8-10)16-11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9,14-15H2/t13-/m0/s1
InChIKeyWKJNHAHINLNZDV-ZDUSSCGKSA-N
MW220.32 g/mol
LogP1.97
Rot. Bonds4

About (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine

(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine (PubChem CID 66517730) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
PubChem CID66517730
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C13H20N2O/c14-9-13(15)10-4-3-7-12(8-10)16-11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9,14-15H2/t13-/m0/s1
InChIKeyWKJNHAHINLNZDV-ZDUSSCGKSA-N
XLogP1.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83824323
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1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
CID 66513071
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
2-amino-2-[3-(thian-4-yloxy)phenyl]ethanol
CID 115005306
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine (CID 66517730) is (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine is NC[C@H](N)c1cccc(OC2CCCC2)c1.
What is the InChIKey of (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine?
The InChIKey is WKJNHAHINLNZDV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c14-9-13(15)10-4-3-7-12(8-10)16-11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9,14-15H2/t13-/m0/s1.
What are the key properties of (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine?
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).