N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine

C16H25NO3 — CID 61312439

IUPACN-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCC1CCOC1
InChIInChI=1S/C16H25NO3/c1-3-7-17-10-14-4-5-15(18-2)9-16(14)20-12-13-6-8-19-11-13/h4-5,9,13,17H,3,6-8,10-12H2,1-2H3
InChIKeyABLRIAKUYZYLHP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds8

About N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 61312439) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID61312439
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCC1CCOC1
InChIInChI=1S/C16H25NO3/c1-3-7-17-10-14-4-5-15(18-2)9-16(14)20-12-13-6-8-19-11-13/h4-5,9,13,17H,3,6-8,10-12H2,1-2H3
InChIKeyABLRIAKUYZYLHP-UHFFFAOYSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
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

3-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]oxolane
CID 54976947
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62385101
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62484361
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine (CID 61312439) is N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)cc1OCC1CCOC1.
What is the InChIKey of N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is ABLRIAKUYZYLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-7-17-10-14-4-5-15(18-2)9-16(14)20-12-13-6-8-19-11-13/h4-5,9,13,17H,3,6-8,10-12H2,1-2H3.
What are the key properties of N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61312439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).