2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

C18H31NO — CID 116724427

IUPAC2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCNC(c1cccc(CC(C)C)c1)C(OC)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-13(2)11-14-9-8-10-15(12-14)16(19-6)17(20-7)18(3,4)5/h8-10,12-13,16-17,19H,11H2,1-7H3
InChIKeyMXHRGPZQLJSGEQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.21
Rot. Bonds6

About 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (PubChem CID 116724427) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
PubChem CID116724427
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCNC(c1cccc(CC(C)C)c1)C(OC)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-13(2)11-14-9-8-10-15(12-14)16(19-6)17(20-7)18(3,4)5/h8-10,12-13,16-17,19H,11H2,1-7H3
InChIKeyMXHRGPZQLJSGEQ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713134
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
1-(3-ethoxyphenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724512
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050783

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (CID 116724427) is 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is CNC(c1cccc(CC(C)C)c1)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is MXHRGPZQLJSGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)11-14-9-8-10-15(12-14)16(19-6)17(20-7)18(3,4)5/h8-10,12-13,16-17,19H,11H2,1-7H3.
What are the key properties of 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 116724427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).