1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine

C16H27NO — CID 83056918

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H27NO/c1-8-16(4,5)15(17-6)13-9-11(2)14(18-7)12(3)10-13/h9-10,15,17H,8H2,1-7H3
InChIKeyPYUYXUSVQIMUQN-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine

1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 83056918) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID83056918
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H27NO/c1-8-16(4,5)15(17-6)13-9-11(2)14(18-7)12(3)10-13/h9-10,15,17H,8H2,1-7H3
InChIKeyPYUYXUSVQIMUQN-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
N-ethyl-2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanamine
CID 83057070
N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 83045309
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine (CID 83056918) is 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine is CCC(C)(C)C(NC)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is PYUYXUSVQIMUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-8-16(4,5)15(17-6)13-9-11(2)14(18-7)12(3)10-13/h9-10,15,17H,8H2,1-7H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 83056918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).