3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride

C18H23ClN2O3 — CID 154892310

IUPAC3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCOc1ccc2cc(C3CN(C(=O)CCN)CCO3)ccc2c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-5-4-13-10-15(3-2-14(13)11-16)17-12-20(8-9-23-17)18(21)6-7-19;/h2-5,10-11,17H,6-9,12,19H2,1H3;1H
InChIKeySBFYBECRVOCNRF-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride

3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride (PubChem CID 154892310) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
PubChem CID154892310
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCOc1ccc2cc(C3CN(C(=O)CCN)CCO3)ccc2c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-5-4-13-10-15(3-2-14(13)11-16)17-12-20(8-9-23-17)18(21)6-7-19;/h2-5,10-11,17H,6-9,12,19H2,1H3;1H
InChIKeySBFYBECRVOCNRF-UHFFFAOYSA-N
XLogP2.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]urea
CID 95525209
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556663
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556664
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
CID 154892435
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562775
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562776
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95455738
(1-aminocyclobutyl)-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone;hydrochloride
CID 154924796
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
CID 95551662

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride (CID 154892310) is 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride is COc1ccc2cc(C3CN(C(=O)CCN)CCO3)ccc2c1.Cl.
What is the InChIKey of 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride?
The InChIKey is SBFYBECRVOCNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-22-16-5-4-13-10-15(3-2-14(13)11-16)17-12-20(8-9-23-17)18(21)6-7-19;/h2-5,10-11,17H,6-9,12,19H2,1H3;1H.
What are the key properties of 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride?
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 154892310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).