2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile

C14H18N2O — CID 155149807

IUPAC2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile
SMILESCCN[C@H]1CCC(OCC#N)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-2-16-13-7-8-14(17-10-9-15)12-6-4-3-5-11(12)13/h3-6,13-14,16H,2,7-8,10H2,1H3/t13-,14?/m0/s1
InChIKeyGOWJSTQHOHTAJP-LSLKUGRBSA-N
MW230.31 g/mol
LogP2.71
Rot. Bonds4

About 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile

2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile (PubChem CID 155149807) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile
PubChem CID155149807
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile
SMILESCCN[C@H]1CCC(OCC#N)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-2-16-13-7-8-14(17-10-9-15)12-6-4-3-5-11(12)13/h3-6,13-14,16H,2,7-8,10H2,1H3/t13-,14?/m0/s1
InChIKeyGOWJSTQHOHTAJP-LSLKUGRBSA-N
XLogP2.71
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile?
The IUPAC name of 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile (CID 155149807) is 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile is CCN[C@H]1CCC(OCC#N)c2ccccc21.
What is the InChIKey of 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile?
The InChIKey is GOWJSTQHOHTAJP-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-16-13-7-8-14(17-10-9-15)12-6-4-3-5-11(12)13/h3-6,13-14,16H,2,7-8,10H2,1H3/t13-,14?/m0/s1.
What are the key properties of 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile?
2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile is sourced from PubChem (CID 155149807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).