2-[1-(1-methoxyethyl)cyclopropyl]aniline

C12H17NO — CID 115018648

IUPAC2-[1-(1-methoxyethyl)cyclopropyl]aniline
SMILESCOC(C)C1(c2ccccc2N)CC1
InChIInChI=1S/C12H17NO/c1-9(14-2)12(7-8-12)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3
InChIKeyJTTOPAZVLZAXOP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds3

About 2-[1-(1-methoxyethyl)cyclopropyl]aniline

2-[1-(1-methoxyethyl)cyclopropyl]aniline (PubChem CID 115018648) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[1-(1-methoxyethyl)cyclopropyl]aniline.

Molecular Properties

Compound Name2-[1-(1-methoxyethyl)cyclopropyl]aniline
PubChem CID115018648
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[1-(1-methoxyethyl)cyclopropyl]aniline
SMILESCOC(C)C1(c2ccccc2N)CC1
InChIInChI=1S/C12H17NO/c1-9(14-2)12(7-8-12)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3
InChIKeyJTTOPAZVLZAXOP-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(difluoromethyl)cyclopropyl]aniline
CID 84718752
2-[1-(difluoromethyl)cyclobutyl]aniline
CID 84720879
2-[1-(difluoromethyl)cyclopentyl]aniline
CID 84723299
1-[1-[2-(1-methoxycyclopropyl)phenyl]cyclopropyl]ethanamine
CID 117118334
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
CID 117112865
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316
2-(3-fluoropyrrolidin-3-yl)aniline
CID 105438750
1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 117326824
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
1-(1-methoxypropan-2-yl)-2,3-dihydroinden-1-amine
CID 115624951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxyethyl)cyclopropyl]aniline?
The IUPAC name of 2-[1-(1-methoxyethyl)cyclopropyl]aniline (CID 115018648) is 2-[1-(1-methoxyethyl)cyclopropyl]aniline.
What is the SMILES notation for 2-[1-(1-methoxyethyl)cyclopropyl]aniline?
The canonical SMILES for 2-[1-(1-methoxyethyl)cyclopropyl]aniline is COC(C)C1(c2ccccc2N)CC1.
What is the InChIKey of 2-[1-(1-methoxyethyl)cyclopropyl]aniline?
The InChIKey is JTTOPAZVLZAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(14-2)12(7-8-12)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 2-[1-(1-methoxyethyl)cyclopropyl]aniline?
2-[1-(1-methoxyethyl)cyclopropyl]aniline has a molecular weight of 191.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxyethyl)cyclopropyl]aniline is sourced from PubChem (CID 115018648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).