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

C16H27NO2 — CID 116724512

IUPAC1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCCOc1cccc(C(NC)C(OC)C(C)(C)C)c1
InChIInChI=1S/C16H27NO2/c1-7-19-13-10-8-9-12(11-13)14(17-5)15(18-6)16(2,3)4/h8-11,14-15,17H,7H2,1-6H3
InChIKeyPLBNXNDDCGASNP-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds6

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

1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine (PubChem CID 116724512) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
PubChem CID116724512
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCCOc1cccc(C(NC)C(OC)C(C)(C)C)c1
InChIInChI=1S/C16H27NO2/c1-7-19-13-10-8-9-12(11-13)14(17-5)15(18-6)16(2,3)4/h8-11,14-15,17H,7H2,1-6H3
InChIKeyPLBNXNDDCGASNP-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772649
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 116759943
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171248214
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
chloro-(3-ethoxyphenyl)methanol
CID 141156919

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine (CID 116724512) is 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine is CCOc1cccc(C(NC)C(OC)C(C)(C)C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The InChIKey is PLBNXNDDCGASNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-19-13-10-8-9-12(11-13)14(17-5)15(18-6)16(2,3)4/h8-11,14-15,17H,7H2,1-6H3.
What are the key properties of 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 116724512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).