N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine

C14H19ClN2O — CID 114064576

IUPACN-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
SMILESClc1cc(N2CCOCC2)ccc1CNC1CC1
InChIInChI=1S/C14H19ClN2O/c15-14-9-13(17-5-7-18-8-6-17)4-1-11(14)10-16-12-2-3-12/h1,4,9,12,16H,2-3,5-8,10H2
InChIKeyIODACFGEMUFHHE-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.43
Rot. Bonds4

About N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine

N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine (PubChem CID 114064576) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
PubChem CID114064576
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
SMILESClc1cc(N2CCOCC2)ccc1CNC1CC1
InChIInChI=1S/C14H19ClN2O/c15-14-9-13(17-5-7-18-8-6-17)4-1-11(14)10-16-12-2-3-12/h1,4,9,12,16H,2-3,5-8,10H2
InChIKeyIODACFGEMUFHHE-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine (CID 114064576) is N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine is Clc1cc(N2CCOCC2)ccc1CNC1CC1.
What is the InChIKey of N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
The InChIKey is IODACFGEMUFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-14-9-13(17-5-7-18-8-6-17)4-1-11(14)10-16-12-2-3-12/h1,4,9,12,16H,2-3,5-8,10H2.
What are the key properties of N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine has a molecular weight of 266.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 114064576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).