[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone

C16H18N2O2 — CID 61339139

IUPAC[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
SMILESNCC1CN(C(=O)c2cccc3ccccc23)CCO1
InChIInChI=1S/C16H18N2O2/c17-10-13-11-18(8-9-20-13)16(19)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11,17H2
InChIKeyMCYQHHAAERQSOT-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.64
Rot. Bonds2

About [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone

[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone (PubChem CID 61339139) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
PubChem CID61339139
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
SMILESNCC1CN(C(=O)c2cccc3ccccc23)CCO1
InChIInChI=1S/C16H18N2O2/c17-10-13-11-18(8-9-20-13)16(19)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11,17H2
InChIKeyMCYQHHAAERQSOT-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
CID 107983238
[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 61337007
[2-(aminomethyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892186
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107702086
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285
[(2S)-2-methylmorpholin-4-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 42002042
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone (CID 61339139) is [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone is NCC1CN(C(=O)c2cccc3ccccc23)CCO1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone?
The InChIKey is MCYQHHAAERQSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-10-13-11-18(8-9-20-13)16(19)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11,17H2.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone?
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone has a molecular weight of 270.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 61339139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).