2-cyclopropyl-N-methylaniline

C10H13N — CID 54314415

IUPAC2-cyclopropyl-N-methylaniline
SMILESCNc1ccccc1C1CC1
InChIInChI=1S/C10H13N/c1-11-10-5-3-2-4-9(10)8-6-7-8/h2-5,8,11H,6-7H2,1H3
InChIKeyNRVVRMYGEFKYEJ-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.61
Rot. Bonds2

About 2-cyclopropyl-N-methylaniline

2-cyclopropyl-N-methylaniline (PubChem CID 54314415) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-cyclopropyl-N-methylaniline.

Molecular Properties

Compound Name2-cyclopropyl-N-methylaniline
PubChem CID54314415
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-cyclopropyl-N-methylaniline
SMILESCNc1ccccc1C1CC1
InChIInChI=1S/C10H13N/c1-11-10-5-3-2-4-9(10)8-6-7-8/h2-5,8,11H,6-7H2,1H3
InChIKeyNRVVRMYGEFKYEJ-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methylaniline?
The IUPAC name of 2-cyclopropyl-N-methylaniline (CID 54314415) is 2-cyclopropyl-N-methylaniline.
What is the SMILES notation for 2-cyclopropyl-N-methylaniline?
The canonical SMILES for 2-cyclopropyl-N-methylaniline is CNc1ccccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-methylaniline?
The InChIKey is NRVVRMYGEFKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-11-10-5-3-2-4-9(10)8-6-7-8/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-N-methylaniline?
2-cyclopropyl-N-methylaniline has a molecular weight of 147.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methylaniline is sourced from PubChem (CID 54314415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).