N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine

C16H15Cl2N — CID 89161858

IUPACN-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine
SMILESClNCC1CC1c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2N/c17-15-6-2-4-12(8-15)11-3-1-5-13(7-11)16-9-14(16)10-19-18/h1-8,14,16,19H,9-10H2
InChIKeyODPSPDGKHUBJOC-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.85
Rot. Bonds4

About N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine

N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine (PubChem CID 89161858) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine
PubChem CID89161858
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC NameN-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine
SMILESClNCC1CC1c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15Cl2N/c17-15-6-2-4-12(8-15)11-3-1-5-13(7-11)16-9-14(16)10-19-18/h1-8,14,16,19H,9-10H2
InChIKeyODPSPDGKHUBJOC-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine (CID 89161858) is N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine is ClNCC1CC1c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine?
The InChIKey is ODPSPDGKHUBJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-15-6-2-4-12(8-15)11-3-1-5-13(7-11)16-9-14(16)10-19-18/h1-8,14,16,19H,9-10H2.
What are the key properties of N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine?
N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine has a molecular weight of 292.21 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 89161858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).