3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine

C16H19NO — CID 169474689

IUPAC3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine
SMILESCCOc1ccc2ccccc2c1C=CCNC
InChIInChI=1S/C16H19NO/c1-3-18-16-11-10-13-7-4-5-8-14(13)15(16)9-6-12-17-2/h4-11,17H,3,12H2,1-2H3
InChIKeyJTUSVCDMPCFACI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.47
Rot. Bonds5

About 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine

3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine (PubChem CID 169474689) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine
PubChem CID169474689
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine
SMILESCCOc1ccc2ccccc2c1C=CCNC
InChIInChI=1S/C16H19NO/c1-3-18-16-11-10-13-7-4-5-8-14(13)15(16)9-6-12-17-2/h4-11,17H,3,12H2,1-2H3
InChIKeyJTUSVCDMPCFACI-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169468647
9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169470705
2-[(E)-2-(2-ethoxynaphthalen-1-yl)ethenyl]quinoline
CID 7945989
N-[3-(2-methoxynaphthalen-1-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79346963
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
1-benzyl-2-ethoxynaphthalene
CID 12064074
(2-ethoxynaphthalen-1-yl)methylidene-(phenylcarbamothioylamino)azanium
CID 5055045
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 7638517
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
(2-ethoxynaphthalen-1-yl)-dimethylborane
CID 67978534

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine (CID 169474689) is 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine is CCOc1ccc2ccccc2c1C=CCNC.
What is the InChIKey of 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine?
The InChIKey is JTUSVCDMPCFACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-18-16-11-10-13-7-4-5-8-14(13)15(16)9-6-12-17-2/h4-11,17H,3,12H2,1-2H3.
What are the key properties of 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine?
3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxynaphthalen-1-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).