2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine

C15H25NO — CID 116931822

IUPAC2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine
SMILESCCOc1ccc(CC(CC)CNC)cc1C
InChIInChI=1S/C15H25NO/c1-5-13(11-16-4)10-14-7-8-15(17-6-2)12(3)9-14/h7-9,13,16H,5-6,10-11H2,1-4H3
InChIKeyCMIUCOCDKIKDGU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds7

About 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine

2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine (PubChem CID 116931822) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine
PubChem CID116931822
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine
SMILESCCOc1ccc(CC(CC)CNC)cc1C
InChIInChI=1S/C15H25NO/c1-5-13(11-16-4)10-14-7-8-15(17-6-2)12(3)9-14/h7-9,13,16H,5-6,10-11H2,1-4H3
InChIKeyCMIUCOCDKIKDGU-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]butan-1-ol
CID 115251012
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
2-(1,3-benzoxazol-6-ylmethyl)-N-methylbutan-1-amine
CID 116931858
1-(4-ethoxy-3-methylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826758
3-N-[(4-ethoxy-3-methylphenyl)methyl]propane-1,2,3-triamine
CID 115119699
2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
CID 116930771
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
N-methyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-amine
CID 116931850

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine (CID 116931822) is 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine is CCOc1ccc(CC(CC)CNC)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is CMIUCOCDKIKDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(11-16-4)10-14-7-8-15(17-6-2)12(3)9-14/h7-9,13,16H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine?
2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 116931822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).