1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine

C15H25NO — CID 115853624

IUPAC1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCCOc1ccccc1C(NC)C(C)C(C)C
InChIInChI=1S/C15H25NO/c1-6-17-14-10-8-7-9-13(14)15(16-5)12(4)11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyYHMVORNLFSNCCV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.64
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine

1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine (PubChem CID 115853624) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
PubChem CID115853624
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCCOc1ccccc1C(NC)C(C)C(C)C
InChIInChI=1S/C15H25NO/c1-6-17-14-10-8-7-9-13(14)15(16-5)12(4)11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyYHMVORNLFSNCCV-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
2-cyclopropyl-1-(2-ethoxyphenyl)-N-methylpropan-1-amine
CID 115853704
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 43114978
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
CID 116725574

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine (CID 115853624) is 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine is CCOc1ccccc1C(NC)C(C)C(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is YHMVORNLFSNCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-17-14-10-8-7-9-13(14)15(16-5)12(4)11(2)3/h7-12,15-16H,6H2,1-5H3.
What are the key properties of 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine?
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 115853624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).