2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine

C17H29NO2 — CID 116724571

IUPAC2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
SMILESCNC(c1ccccc1OC(C)C)C(OC)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)20-14-11-9-8-10-13(14)15(18-6)16(19-7)17(3,4)5/h8-12,15-16,18H,1-7H3
InChIKeyCBRQGDLMXDJVFV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.80
Rot. Bonds6

About 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine

2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 116724571) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
PubChem CID116724571
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
SMILESCNC(c1ccccc1OC(C)C)C(OC)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)20-14-11-9-8-10-13(14)15(18-6)16(19-7)17(3,4)5/h8-12,15-16,18H,1-7H3
InChIKeyCBRQGDLMXDJVFV-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724590
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724444
2-ethoxy-N,3,3-trimethyl-1-(2-propoxyphenyl)butan-1-amine
CID 116725574
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755235
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 107976659
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
[2-ethyl-2-methoxy-1-(2-propan-2-yloxyphenyl)butyl]hydrazine
CID 105275460

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine (CID 116724571) is 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine is CNC(c1ccccc1OC(C)C)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is CBRQGDLMXDJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)20-14-11-9-8-10-13(14)15(18-6)16(19-7)17(3,4)5/h8-12,15-16,18H,1-7H3.
What are the key properties of 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine?
2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 116724571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).