2-[amino(cyclopropyl)methyl]-5-chloroaniline

C10H13ClN2 — CID 55270347

IUPAC2-[amino(cyclopropyl)methyl]-5-chloroaniline
SMILESNc1cc(Cl)ccc1C(N)C1CC1
InChIInChI=1S/C10H13ClN2/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6,10H,1-2,12-13H2
InChIKeyALZFJADXEGMSTM-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.33
Rot. Bonds2

About 2-[amino(cyclopropyl)methyl]-5-chloroaniline

2-[amino(cyclopropyl)methyl]-5-chloroaniline (PubChem CID 55270347) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-chloroaniline.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-chloroaniline
PubChem CID55270347
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-[amino(cyclopropyl)methyl]-5-chloroaniline
SMILESNc1cc(Cl)ccc1C(N)C1CC1
InChIInChI=1S/C10H13ClN2/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6,10H,1-2,12-13H2
InChIKeyALZFJADXEGMSTM-UHFFFAOYSA-N
XLogP2.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.33
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 2-[amino(cyclopropyl)methyl]-5-chloroaniline?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-chloroaniline (CID 55270347) is 2-[amino(cyclopropyl)methyl]-5-chloroaniline.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-chloroaniline?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-chloroaniline is Nc1cc(Cl)ccc1C(N)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-chloroaniline?
The InChIKey is ALZFJADXEGMSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6,10H,1-2,12-13H2.
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-chloroaniline?
2-[amino(cyclopropyl)methyl]-5-chloroaniline has a molecular weight of 196.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-chloroaniline is sourced from PubChem (CID 55270347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).