N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine

C15H24N2O2 — CID 43610823

IUPACN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine
SMILESCN(CCOc1cccc(CN)c1)C1CCOCC1
InChIInChI=1S/C15H24N2O2/c1-17(14-5-8-18-9-6-14)7-10-19-15-4-2-3-13(11-15)12-16/h2-4,11,14H,5-10,12,16H2,1H3
InChIKeyZEQBVRQJFANGJA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds6

About N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine (PubChem CID 43610823) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine
PubChem CID43610823
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine
SMILESCN(CCOc1cccc(CN)c1)C1CCOCC1
InChIInChI=1S/C15H24N2O2/c1-17(14-5-8-18-9-6-14)7-10-19-15-4-2-3-13(11-15)12-16/h2-4,11,14H,5-10,12,16H2,1H3
InChIKeyZEQBVRQJFANGJA-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine?
The IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine (CID 43610823) is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine is CN(CCOc1cccc(CN)c1)C1CCOCC1.
What is the InChIKey of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine?
The InChIKey is ZEQBVRQJFANGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(14-5-8-18-9-6-14)7-10-19-15-4-2-3-13(11-15)12-16/h2-4,11,14H,5-10,12,16H2,1H3.
What are the key properties of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine?
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methyloxan-4-amine is sourced from PubChem (CID 43610823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).