1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine

C13H21NO4 — CID 65364643

IUPAC1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
SMILESCOCOc1c(OC)cc(CC(C)N)cc1OC
InChIInChI=1S/C13H21NO4/c1-9(14)5-10-6-11(16-3)13(18-8-15-2)12(7-10)17-4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyPVOMUSYJCAHQER-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.58
Rot. Bonds7

About 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine

1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine (PubChem CID 65364643) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
PubChem CID65364643
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
SMILESCOCOc1c(OC)cc(CC(C)N)cc1OC
InChIInChI=1S/C13H21NO4/c1-9(14)5-10-6-11(16-3)13(18-8-15-2)12(7-10)17-4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyPVOMUSYJCAHQER-UHFFFAOYSA-N
XLogP1.58
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
CID 60907775
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
1-(3,4-dimethoxy-5-methylphosphanyloxyphenyl)propan-2-amine
CID 168931516
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-[3-chloro-4-[2-(diethylamino)ethoxy]-5-methoxyphenyl]propan-2-amine
CID 60907302
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
1-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]propan-2-amine
CID 81113782
1-[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]propan-2-amine
CID 54930700

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine (CID 65364643) is 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine is COCOc1c(OC)cc(CC(C)N)cc1OC.
What is the InChIKey of 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine?
The InChIKey is PVOMUSYJCAHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9(14)5-10-6-11(16-3)13(18-8-15-2)12(7-10)17-4/h6-7,9H,5,8,14H2,1-4H3.
What are the key properties of 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine?
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine has a molecular weight of 255.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 65364643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).