1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine

C18H25NO — CID 107329660

IUPAC1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
SMILESCCOCC(NCc1cccc2ccccc12)C(C)C
InChIInChI=1S/C18H25NO/c1-4-20-13-18(14(2)3)19-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,18-19H,4,12-13H2,1-3H3
InChIKeyKJTIBKIJMPRGLD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.99
Rot. Bonds7

About 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine

1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine (PubChem CID 107329660) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
PubChem CID107329660
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
SMILESCCOCC(NCc1cccc2ccccc12)C(C)C
InChIInChI=1S/C18H25NO/c1-4-20-13-18(14(2)3)19-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,18-19H,4,12-13H2,1-3H3
InChIKeyKJTIBKIJMPRGLD-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine?
The IUPAC name of 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine (CID 107329660) is 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine?
The canonical SMILES for 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine is CCOCC(NCc1cccc2ccccc12)C(C)C.
What is the InChIKey of 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine?
The InChIKey is KJTIBKIJMPRGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-20-13-18(14(2)3)19-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,18-19H,4,12-13H2,1-3H3.
What are the key properties of 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine?
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine is sourced from PubChem (CID 107329660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).