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

C16H26N2O2 — CID 43610827

IUPACN-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
SMILESCN(CCCOc1ccccc1CN)C1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-18(15-7-11-19-12-8-15)9-4-10-20-16-6-3-2-5-14(16)13-17/h2-3,5-6,15H,4,7-13,17H2,1H3
InChIKeyFKAUZHYYVJMELL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds7

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

N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine (PubChem CID 43610827) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
PubChem CID43610827
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
SMILESCN(CCCOc1ccccc1CN)C1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-18(15-7-11-19-12-8-15)9-4-10-20-16-6-3-2-5-14(16)13-17/h2-3,5-6,15H,4,7-13,17H2,1H3
InChIKeyFKAUZHYYVJMELL-UHFFFAOYSA-N
XLogP2.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-Ethoxybenzylamine
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N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
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CP-99994
CID 5311057
Piperazine, 1-dibenz(b,f)oxepin-10-yl-4-methyl-
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CID 826600

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine?
The IUPAC name of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine (CID 43610827) is N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine is CN(CCCOc1ccccc1CN)C1CCOCC1.
What is the InChIKey of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine?
The InChIKey is FKAUZHYYVJMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(15-7-11-19-12-8-15)9-4-10-20-16-6-3-2-5-14(16)13-17/h2-3,5-6,15H,4,7-13,17H2,1H3.
What are the key properties of N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine?
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine is sourced from PubChem (CID 43610827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).