2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine

C19H25NO2 — CID 3794220

IUPAC2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)COc1cccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-15(12-20-13-17-8-5-11-21-17)14-22-19-10-4-7-16-6-2-3-9-18(16)19/h2-4,6-7,9-10,15,17,20H,5,8,11-14H2,1H3
InChIKeyVOHCIXMVPQJCBT-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.62
Rot. Bonds7

About 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine

2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 3794220) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID3794220
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)COc1cccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-15(12-20-13-17-8-5-11-21-17)14-22-19-10-4-7-16-6-2-3-9-18(16)19/h2-4,6-7,9-10,15,17,20H,5,8,11-14H2,1H3
InChIKeyVOHCIXMVPQJCBT-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine (CID 3794220) is 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)COc1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is VOHCIXMVPQJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(12-20-13-17-8-5-11-21-17)14-22-19-10-4-7-16-6-2-3-9-18(16)19/h2-4,6-7,9-10,15,17,20H,5,8,11-14H2,1H3.
What are the key properties of 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine?
2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 3794220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).