2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine

C17H27NO — CID 116722194

IUPAC2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(c1cccc(CC(C)C)c1)C(OC)C1CC1
InChIInChI=1S/C17H27NO/c1-12(2)10-13-6-5-7-15(11-13)16(18-3)17(19-4)14-8-9-14/h5-7,11-12,14,16-18H,8-10H2,1-4H3
InChIKeyMGGIMYRMZZCRCU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds7

About 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine

2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine (PubChem CID 116722194) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
PubChem CID116722194
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(c1cccc(CC(C)C)c1)C(OC)C1CC1
InChIInChI=1S/C17H27NO/c1-12(2)10-13-6-5-7-15(11-13)16(18-3)17(19-4)14-8-9-14/h5-7,11-12,14,16-18H,8-10H2,1-4H3
InChIKeyMGGIMYRMZZCRCU-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
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
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544532
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
2-cyclopropyl-1-(furan-3-yl)-2-methoxy-N-methylethanamine
CID 116722206
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722171
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
2-cyclopropyl-2-methoxy-N-methyl-1-thiophen-3-ylethanamine
CID 116722222
2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771600

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine (CID 116722194) is 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine is CNC(c1cccc(CC(C)C)c1)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is MGGIMYRMZZCRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)10-13-6-5-7-15(11-13)16(18-3)17(19-4)14-8-9-14/h5-7,11-12,14,16-18H,8-10H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine?
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 116722194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).