(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone

C17H19NO2 — CID 116921451

IUPAC(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C17H19NO2/c1-18-11-17(7-8-17)16(19)14-4-3-13-10-15(20-2)6-5-12(13)9-14/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyHNIPJWDWUXDWRY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.03
Rot. Bonds5

About (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone

(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone (PubChem CID 116921451) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone
PubChem CID116921451
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone
SMILESCNCC1(C(=O)c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C17H19NO2/c1-18-11-17(7-8-17)16(19)14-4-3-13-10-15(20-2)6-5-12(13)9-14/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyHNIPJWDWUXDWRY-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921712
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanone
CID 116921365
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921337
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182981
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone (CID 116921451) is (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone is CNCC1(C(=O)c2ccc3cc(OC)ccc3c2)CC1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone?
The InChIKey is HNIPJWDWUXDWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-11-17(7-8-17)16(19)14-4-3-13-10-15(20-2)6-5-12(13)9-14/h3-6,9-10,18H,7-8,11H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone?
(6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone has a molecular weight of 269.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-[1-(methylaminomethyl)cyclopropyl]methanone is sourced from PubChem (CID 116921451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).