3-chloroaniline;cyclopropylmethanamine

C10H15ClN2 — CID 69484094

IUPAC3-chloroaniline;cyclopropylmethanamine
SMILESNCC1CC1.Nc1cccc(Cl)c1
InChIInChI=1S/C6H6ClN.C4H9N/c7-5-2-1-3-6(8)4-5;5-3-4-1-2-4/h1-4H,8H2;4H,1-3,5H2
InChIKeyFUHCGELCQYYKNH-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.28
Rot. Bonds1

About 3-chloroaniline;cyclopropylmethanamine

3-chloroaniline;cyclopropylmethanamine (PubChem CID 69484094) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-chloroaniline;cyclopropylmethanamine.

Molecular Properties

Compound Name3-chloroaniline;cyclopropylmethanamine
PubChem CID69484094
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-chloroaniline;cyclopropylmethanamine
SMILESNCC1CC1.Nc1cccc(Cl)c1
InChIInChI=1S/C6H6ClN.C4H9N/c7-5-2-1-3-6(8)4-5;5-3-4-1-2-4/h1-4H,8H2;4H,1-3,5H2
InChIKeyFUHCGELCQYYKNH-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloroaniline;cyclopropylmethanamine?
The IUPAC name of 3-chloroaniline;cyclopropylmethanamine (CID 69484094) is 3-chloroaniline;cyclopropylmethanamine.
What is the SMILES notation for 3-chloroaniline;cyclopropylmethanamine?
The canonical SMILES for 3-chloroaniline;cyclopropylmethanamine is NCC1CC1.Nc1cccc(Cl)c1.
What is the InChIKey of 3-chloroaniline;cyclopropylmethanamine?
The InChIKey is FUHCGELCQYYKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.C4H9N/c7-5-2-1-3-6(8)4-5;5-3-4-1-2-4/h1-4H,8H2;4H,1-3,5H2.
What are the key properties of 3-chloroaniline;cyclopropylmethanamine?
3-chloroaniline;cyclopropylmethanamine has a molecular weight of 198.70 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroaniline;cyclopropylmethanamine is sourced from PubChem (CID 69484094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).