3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine

C21H29NO3 — CID 139784170

IUPAC3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCOCOc1ccc(OCCCN(C)C)c(CCc2ccccc2)c1
InChIInChI=1S/C21H29NO3/c1-22(2)14-7-15-24-21-13-12-20(25-17-23-3)16-19(21)11-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,16H,7,10-11,14-15,17H2,1-3H3
InChIKeySHTPYRDJQSLZOZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.79
Rot. Bonds11

About 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine

3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 139784170) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID139784170
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCOCOc1ccc(OCCCN(C)C)c(CCc2ccccc2)c1
InChIInChI=1S/C21H29NO3/c1-22(2)14-7-15-24-21-13-12-20(25-17-23-3)16-19(21)11-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,16H,7,10-11,14-15,17H2,1-3H3
InChIKeySHTPYRDJQSLZOZ-UHFFFAOYSA-N
XLogP3.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-butoxy-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 139784207
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
2-hydroxybenzoic acid;3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 134285054
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
N,N-diethyl-8-[2-(2-phenylethyl)phenoxy]octan-1-amine
CID 20544982
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 11197455
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine (CID 139784170) is 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine is COCOc1ccc(OCCCN(C)C)c(CCc2ccccc2)c1.
What is the InChIKey of 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is SHTPYRDJQSLZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-22(2)14-7-15-24-21-13-12-20(25-17-23-3)16-19(21)11-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,16H,7,10-11,14-15,17H2,1-3H3.
What are the key properties of 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine?
3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethoxy)-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 139784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).