N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine

C17H23NO — CID 43190378

IUPACN-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc2cc(C(C)NCC(C)C)ccc2c1
InChIInChI=1S/C17H23NO/c1-12(2)11-18-13(3)14-5-6-16-10-17(19-4)8-7-15(16)9-14/h5-10,12-13,18H,11H2,1-4H3
InChIKeyQBPYLJSAGNEILX-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.16
Rot. Bonds5

About N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine

N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 43190378) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
PubChem CID43190378
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc2cc(C(C)NCC(C)C)ccc2c1
InChIInChI=1S/C17H23NO/c1-12(2)11-18-13(3)14-5-6-16-10-17(19-4)8-7-15(16)9-14/h5-10,12-13,18H,11H2,1-4H3
InChIKeyQBPYLJSAGNEILX-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
2-methoxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 115664040
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63982854
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115663810
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine (CID 43190378) is N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine is COc1ccc2cc(C(C)NCC(C)C)ccc2c1.
What is the InChIKey of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is QBPYLJSAGNEILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)11-18-13(3)14-5-6-16-10-17(19-4)8-7-15(16)9-14/h5-10,12-13,18H,11H2,1-4H3.
What are the key properties of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine?
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 43190378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).