3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine

C15H25NO — CID 170866561

IUPAC3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
SMILESCCOc1c(C)cc(CCCN(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-6-17-15-12(2)10-14(11-13(15)3)8-7-9-16(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRANQTLQPXVJVTP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.20
Rot. Bonds6

About 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine

3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170866561) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170866561
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
SMILESCCOc1c(C)cc(CCCN(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-6-17-15-12(2)10-14(11-13(15)3)8-7-9-16(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRANQTLQPXVJVTP-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
CID 114526284
2-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 91657255
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
5-[3-(dimethylamino)propyl]benzene-1,2,3-triol
CID 170865399
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17159816
4-[3-(dimethylamino)propoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 114525006
ethyl 4-[3-(dimethylamino)propyl]benzoate
CID 22908170

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine (CID 170866561) is 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine is CCOc1c(C)cc(CCCN(C)C)cc1C.
What is the InChIKey of 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is RANQTLQPXVJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-17-15-12(2)10-14(11-13(15)3)8-7-9-16(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine?
3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).