(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine

C12H17NO — CID 105445465

IUPAC(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
SMILESCCC1(c2ccc(OC)cc2)C[C@H]1N
InChIInChI=1S/C12H17NO/c1-3-12(8-11(12)13)9-4-6-10(14-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-,12?/m1/s1
InChIKeyQIGUAVXRLWDFHY-JHJMLUEUSA-N
MW191.27 g/mol
LogP2.07
Rot. Bonds3

About (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine

(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine (PubChem CID 105445465) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
PubChem CID105445465
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
SMILESCCC1(c2ccc(OC)cc2)C[C@H]1N
InChIInChI=1S/C12H17NO/c1-3-12(8-11(12)13)9-4-6-10(14-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-,12?/m1/s1
InChIKeyQIGUAVXRLWDFHY-JHJMLUEUSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine (CID 105445465) is (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine is CCC1(c2ccc(OC)cc2)C[C@H]1N.
What is the InChIKey of (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is QIGUAVXRLWDFHY-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(8-11(12)13)9-4-6-10(14-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine?
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 105445465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).