4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine

C19H25NO2 — CID 560877

IUPAC4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine
SMILESNCCC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H25NO2/c20-12-11-19(15-21-13-17-7-3-1-4-8-17)16-22-14-18-9-5-2-6-10-18/h1-10,19H,11-16,20H2
InChIKeyMUYABDPHCJCLOT-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.38
Rot. Bonds10

About 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine

4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine (PubChem CID 560877) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine.

Molecular Properties

Compound Name4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine
PubChem CID560877
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine
SMILESNCCC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H25NO2/c20-12-11-19(15-21-13-17-7-3-1-4-8-17)16-22-14-18-9-5-2-6-10-18/h1-10,19H,11-16,20H2
InChIKeyMUYABDPHCJCLOT-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine?
The IUPAC name of 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine (CID 560877) is 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine.
What is the SMILES notation for 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine?
The canonical SMILES for 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine is NCCC(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine?
The InChIKey is MUYABDPHCJCLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c20-12-11-19(15-21-13-17-7-3-1-4-8-17)16-22-14-18-9-5-2-6-10-18/h1-10,19H,11-16,20H2.
What are the key properties of 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine?
4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-3-(phenylmethoxymethyl)butan-1-amine is sourced from PubChem (CID 560877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).