[(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C16H22N2O3 — CID 164632285

IUPAC[(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESNC[C@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1
InChIInChI=1S/C16H22N2O3/c17-9-12-10-18(7-8-21-12)16(20)14-6-5-11-3-1-2-4-13(11)15(14)19/h5-6,12,19H,1-4,7-10,17H2/t12-/m0/s1
InChIKeyIBUQEKRLVZIUIC-LBPRGKRZSA-N
MW290.36 g/mol
LogP1.07
Rot. Bonds2

About [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 164632285) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID164632285
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESNC[C@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1
InChIInChI=1S/C16H22N2O3/c17-9-12-10-18(7-8-21-12)16(20)14-6-5-11-3-1-2-4-13(11)15(14)19/h5-6,12,19H,1-4,7-10,17H2/t12-/m0/s1
InChIKeyIBUQEKRLVZIUIC-LBPRGKRZSA-N
XLogP1.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 164632285) is [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is NC[C@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1.
What is the InChIKey of [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is IBUQEKRLVZIUIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-9-12-10-18(7-8-21-12)16(20)14-6-5-11-3-1-2-4-13(11)15(14)19/h5-6,12,19H,1-4,7-10,17H2/t12-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)morpholin-4-yl]-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 164632285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).