2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine

C14H23NO — CID 116758612

IUPAC2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
SMILESCCOC(C)(CC)C(N)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-14(4,16-6-2)13(15)12-10-8-7-9-11(12)3/h7-10,13H,5-6,15H2,1-4H3
InChIKeyQKJNTYVFTCXHFW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.20
Rot. Bonds5

About 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine

2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine (PubChem CID 116758612) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
PubChem CID116758612
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
SMILESCCOC(C)(CC)C(N)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-14(4,16-6-2)13(15)12-10-8-7-9-11(12)3/h7-10,13H,5-6,15H2,1-4H3
InChIKeyQKJNTYVFTCXHFW-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143828
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777
1-(3,4-diethoxyphenyl)-2-ethoxy-2-methylbutan-1-amine
CID 116758530
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 116752097
2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
CID 116759979
2-N,2-dimethyl-1-(2-methylphenyl)propane-1,2-diamine
CID 116938951
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
2-ethoxy-2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 116758404
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116757522
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine (CID 116758612) is 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine is CCOC(C)(CC)C(N)c1ccccc1C.
What is the InChIKey of 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine?
The InChIKey is QKJNTYVFTCXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(4,16-6-2)13(15)12-10-8-7-9-11(12)3/h7-10,13H,5-6,15H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine?
2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 116758612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).