N-cyclopropyl-N-ethyl-2-methylaniline

C12H17N — CID 123141006

IUPACN-cyclopropyl-N-ethyl-2-methylaniline
SMILESCCN(c1ccccc1C)C1CC1
InChIInChI=1S/C12H17N/c1-3-13(11-8-9-11)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3
InChIKeyFJKNTYNFQUSLDL-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.98
Rot. Bonds3

About N-cyclopropyl-N-ethyl-2-methylaniline

N-cyclopropyl-N-ethyl-2-methylaniline (PubChem CID 123141006) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-methylaniline
PubChem CID123141006
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-cyclopropyl-N-ethyl-2-methylaniline
SMILESCCN(c1ccccc1C)C1CC1
InChIInChI=1S/C12H17N/c1-3-13(11-8-9-11)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3
InChIKeyFJKNTYNFQUSLDL-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-methylaniline?
The IUPAC name of N-cyclopropyl-N-ethyl-2-methylaniline (CID 123141006) is N-cyclopropyl-N-ethyl-2-methylaniline.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-methylaniline?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-methylaniline is CCN(c1ccccc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-methylaniline?
The InChIKey is FJKNTYNFQUSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-13(11-8-9-11)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-methylaniline?
N-cyclopropyl-N-ethyl-2-methylaniline has a molecular weight of 175.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-methylaniline is sourced from PubChem (CID 123141006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).