N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine

C16H15ClFN — CID 89161826

IUPACN-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine
SMILESFc1ccc(-c2ccc(C3CC3CNCl)cc2)cc1
InChIInChI=1S/C16H15ClFN/c17-19-10-14-9-16(14)13-3-1-11(2-4-13)12-5-7-15(18)8-6-12/h1-8,14,16,19H,9-10H2
InChIKeyWISMLDIZDNRCIZ-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.34
Rot. Bonds4

About N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine

N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine (PubChem CID 89161826) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine
PubChem CID89161826
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine
SMILESFc1ccc(-c2ccc(C3CC3CNCl)cc2)cc1
InChIInChI=1S/C16H15ClFN/c17-19-10-14-9-16(14)13-3-1-11(2-4-13)12-5-7-15(18)8-6-12/h1-8,14,16,19H,9-10H2
InChIKeyWISMLDIZDNRCIZ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.34
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-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine (CID 89161826) is N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine is Fc1ccc(-c2ccc(C3CC3CNCl)cc2)cc1.
What is the InChIKey of N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine?
The InChIKey is WISMLDIZDNRCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-19-10-14-9-16(14)13-3-1-11(2-4-13)12-5-7-15(18)8-6-12/h1-8,14,16,19H,9-10H2.
What are the key properties of N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine?
N-chloro-1-[2-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine has a molecular weight of 275.75 g/mol, XLogP of 4.34, 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-[4-(4-fluorophenyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 89161826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).