3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

C19H25NO — CID 79344285

IUPAC3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCOc1ccc2cc(C=C(C)CNCC(C)C)ccc2c1
InChIInChI=1S/C19H25NO/c1-14(2)12-20-13-15(3)9-16-5-6-18-11-19(21-4)8-7-17(18)10-16/h5-11,14,20H,12-13H2,1-4H3
InChIKeyKOZZIOYDEIVVIW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds6

About 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 79344285) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID79344285
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCOc1ccc2cc(C=C(C)CNCC(C)C)ccc2c1
InChIInChI=1S/C19H25NO/c1-14(2)12-20-13-15(3)9-16-5-6-18-11-19(21-4)8-7-17(18)10-16/h5-11,14,20H,12-13H2,1-4H3
InChIKeyKOZZIOYDEIVVIW-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
CID 109396219
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 79344285) is 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is COc1ccc2cc(C=C(C)CNCC(C)C)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is KOZZIOYDEIVVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)12-20-13-15(3)9-16-5-6-18-11-19(21-4)8-7-17(18)10-16/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79344285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).