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

C18H29NO — CID 116722482

IUPAC2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)C(OC)C1CC1
InChIInChI=1S/C18H29NO/c1-5-19-17(18(20-4)15-9-10-15)16-8-6-7-14(12-16)11-13(2)3/h6-8,12-13,15,17-19H,5,9-11H2,1-4H3
InChIKeySCUFPBWCOKZUGD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.96
Rot. Bonds8

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

2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine (PubChem CID 116722482) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
PubChem CID116722482
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)C(OC)C1CC1
InChIInChI=1S/C18H29NO/c1-5-19-17(18(20-4)15-9-10-15)16-8-6-7-14(12-16)11-13(2)3/h6-8,12-13,15,17-19H,5,9-11H2,1-4H3
InChIKeySCUFPBWCOKZUGD-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
2-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-methoxyethanamine
CID 116722579
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
2-cyclopropyl-N-ethyl-2-methoxy-1-thiophen-3-ylethanamine
CID 116722511
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
2-cyclopropyl-N-ethyl-2-methoxy-1-quinolin-3-ylethanamine
CID 116722411
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050748
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine (CID 116722482) is 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine is CCNC(c1cccc(CC(C)C)c1)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is SCUFPBWCOKZUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(18(20-4)15-9-10-15)16-8-6-7-14(12-16)11-13(2)3/h6-8,12-13,15,17-19H,5,9-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine?
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 116722482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).