4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine

C14H23NO — CID 96659154

IUPAC4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
SMILESCCOc1ccc(CCC(C)(C)N)cc1C
InChIInChI=1S/C14H23NO/c1-5-16-13-7-6-12(10-11(13)2)8-9-14(3,4)15/h6-7,10H,5,8-9,15H2,1-4H3
InChIKeyMUQHGPLNGRANOJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.06
Rot. Bonds5

About 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine

4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine (PubChem CID 96659154) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
PubChem CID96659154
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
SMILESCCOc1ccc(CCC(C)(C)N)cc1C
InChIInChI=1S/C14H23NO/c1-5-16-13-7-6-12(10-11(13)2)8-9-14(3,4)15/h6-7,10H,5,8-9,15H2,1-4H3
InChIKeyMUQHGPLNGRANOJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200606
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 116924946
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
CID 115154979
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine?
The IUPAC name of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine (CID 96659154) is 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine is CCOc1ccc(CCC(C)(C)N)cc1C.
What is the InChIKey of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine?
The InChIKey is MUQHGPLNGRANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-16-13-7-6-12(10-11(13)2)8-9-14(3,4)15/h6-7,10H,5,8-9,15H2,1-4H3.
What are the key properties of 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine?
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 96659154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).