1-[3-(methoxymethoxy)phenyl]propan-2-amine

C11H17NO2 — CID 55253645

IUPAC1-[3-(methoxymethoxy)phenyl]propan-2-amine
SMILESCOCOc1cccc(CC(C)N)c1
InChIInChI=1S/C11H17NO2/c1-9(12)6-10-4-3-5-11(7-10)14-8-13-2/h3-5,7,9H,6,8,12H2,1-2H3
InChIKeyVPCIFWVIFDHXOG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.56
Rot. Bonds5

About 1-[3-(methoxymethoxy)phenyl]propan-2-amine

1-[3-(methoxymethoxy)phenyl]propan-2-amine (PubChem CID 55253645) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[3-(methoxymethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethoxy)phenyl]propan-2-amine
PubChem CID55253645
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[3-(methoxymethoxy)phenyl]propan-2-amine
SMILESCOCOc1cccc(CC(C)N)c1
InChIInChI=1S/C11H17NO2/c1-9(12)6-10-4-3-5-11(7-10)14-8-13-2/h3-5,7,9H,6,8,12H2,1-2H3
InChIKeyVPCIFWVIFDHXOG-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893627
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]propan-2-amine
CID 65445918
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-[3-(2-propan-2-ylsulfanylethoxy)phenyl]propan-2-amine
CID 114268788
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(methoxymethoxy)phenyl]propan-2-amine (CID 55253645) is 1-[3-(methoxymethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(methoxymethoxy)phenyl]propan-2-amine is COCOc1cccc(CC(C)N)c1.
What is the InChIKey of 1-[3-(methoxymethoxy)phenyl]propan-2-amine?
The InChIKey is VPCIFWVIFDHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(12)6-10-4-3-5-11(7-10)14-8-13-2/h3-5,7,9H,6,8,12H2,1-2H3.
What are the key properties of 1-[3-(methoxymethoxy)phenyl]propan-2-amine?
1-[3-(methoxymethoxy)phenyl]propan-2-amine has a molecular weight of 195.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 55253645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).