ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine

C16H23NO — CID 144547592

IUPACethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
SMILESCC.CNCCc1ccc2c(OC)cccc2c1
InChIInChI=1S/C14H17NO.C2H6/c1-15-9-8-11-6-7-13-12(10-11)4-3-5-14(13)16-2;1-2/h3-7,10,15H,8-9H2,1-2H3;1-2H3
InChIKeyBDAHFSSVLBMILM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.64
Rot. Bonds4

About ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine

ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine (PubChem CID 144547592) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
PubChem CID144547592
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Nameethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
SMILESCC.CNCCc1ccc2c(OC)cccc2c1
InChIInChI=1S/C14H17NO.C2H6/c1-15-9-8-11-6-7-13-12(10-11)4-3-5-14(13)16-2;1-2/h3-7,10,15H,8-9H2,1-2H3;1-2H3
InChIKeyBDAHFSSVLBMILM-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine?
The IUPAC name of ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine (CID 144547592) is ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine.
What is the SMILES notation for ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine?
The canonical SMILES for ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine is CC.CNCCc1ccc2c(OC)cccc2c1.
What is the InChIKey of ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine?
The InChIKey is BDAHFSSVLBMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C2H6/c1-15-9-8-11-6-7-13-12(10-11)4-3-5-14(13)16-2;1-2/h3-7,10,15H,8-9H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine?
ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine is sourced from PubChem (CID 144547592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).