4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile

C14H15FN2 — CID 64520153

IUPAC4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(N(CC2CC2)C2CC2)c(F)c1
InChIInChI=1S/C14H15FN2/c15-13-7-11(8-16)3-6-14(13)17(12-4-5-12)9-10-1-2-10/h3,6-7,10,12H,1-2,4-5,9H2
InChIKeyJRMLHXRSDLSPHE-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.08
Rot. Bonds4

About 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile

4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile (PubChem CID 64520153) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile
PubChem CID64520153
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile
SMILESN#Cc1ccc(N(CC2CC2)C2CC2)c(F)c1
InChIInChI=1S/C14H15FN2/c15-13-7-11(8-16)3-6-14(13)17(12-4-5-12)9-10-1-2-10/h3,6-7,10,12H,1-2,4-5,9H2
InChIKeyJRMLHXRSDLSPHE-UHFFFAOYSA-N
XLogP3.08
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile?
The IUPAC name of 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile (CID 64520153) is 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile?
The canonical SMILES for 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile is N#Cc1ccc(N(CC2CC2)C2CC2)c(F)c1.
What is the InChIKey of 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile?
The InChIKey is JRMLHXRSDLSPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c15-13-7-11(8-16)3-6-14(13)17(12-4-5-12)9-10-1-2-10/h3,6-7,10,12H,1-2,4-5,9H2.
What are the key properties of 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile?
4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile has a molecular weight of 230.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorobenzonitrile is sourced from PubChem (CID 64520153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).