1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine

C17H27NO — CID 107004230

IUPAC1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)C1CC1(C)C
InChIInChI=1S/C17H27NO/c1-6-18-15(14-11-17(14,3)4)10-13-9-12(2)7-8-16(13)19-5/h7-9,14-15,18H,6,10-11H2,1-5H3
InChIKeyHULOMWXRZUJUAE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds6

About 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine

1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 107004230) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID107004230
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)C1CC1(C)C
InChIInChI=1S/C17H27NO/c1-6-18-15(14-11-17(14,3)4)10-13-9-12(2)7-8-16(13)19-5/h7-9,14-15,18H,6,10-11H2,1-5H3
InChIKeyHULOMWXRZUJUAE-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826696
2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004487
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 65391424
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-phenylpropan-2-amine
CID 62160348
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine (CID 107004230) is 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine is CCNC(Cc1cc(C)ccc1OC)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is HULOMWXRZUJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-18-15(14-11-17(14,3)4)10-13-9-12(2)7-8-16(13)19-5/h7-9,14-15,18H,6,10-11H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 107004230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).