1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine

C19H25NO — CID 63500622

IUPAC1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cc(C)cc(C)c1
InChIInChI=1S/C19H25NO/c1-5-18(20-4)17-8-6-7-9-19(17)21-13-16-11-14(2)10-15(3)12-16/h6-12,18,20H,5,13H2,1-4H3
InChIKeyRXNIENKURYOOMO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.55
Rot. Bonds6

About 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine

1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 63500622) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID63500622
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cc(C)cc(C)c1
InChIInChI=1S/C19H25NO/c1-5-18(20-4)17-8-6-7-9-19(17)21-13-16-11-14(2)10-15(3)12-16/h6-12,18,20H,5,13H2,1-4H3
InChIKeyRXNIENKURYOOMO-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995554
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 62128091
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 65318748
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 107305765
1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500974
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
CID 63899388

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine (CID 63500622) is 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCc1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is RXNIENKURYOOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-18(20-4)17-8-6-7-9-19(17)21-13-16-11-14(2)10-15(3)12-16/h6-12,18,20H,5,13H2,1-4H3.
What are the key properties of 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63500622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).