(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine

C17H18ClNO — CID 165351367

IUPAC(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine
SMILESN[C@@H](c1ccc(OCc2ccccc2Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO/c18-16-4-2-1-3-14(16)11-20-15-9-7-13(8-10-15)17(19)12-5-6-12/h1-4,7-10,12,17H,5-6,11,19H2/t17-/m1/s1
InChIKeyUSECVABNACBGNA-QGZVFWFLSA-N
MW287.79 g/mol
LogP4.33
Rot. Bonds5

About (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine

(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine (PubChem CID 165351367) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine.

Molecular Properties

Compound Name(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine
PubChem CID165351367
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine
SMILESN[C@@H](c1ccc(OCc2ccccc2Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO/c18-16-4-2-1-3-14(16)11-20-15-9-7-13(8-10-15)17(19)12-5-6-12/h1-4,7-10,12,17H,5-6,11,19H2/t17-/m1/s1
InChIKeyUSECVABNACBGNA-QGZVFWFLSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine?
The IUPAC name of (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine (CID 165351367) is (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine.
What is the SMILES notation for (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine?
The canonical SMILES for (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine is N[C@@H](c1ccc(OCc2ccccc2Cl)cc1)C1CC1.
What is the InChIKey of (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine?
The InChIKey is USECVABNACBGNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-4-2-1-3-14(16)11-20-15-9-7-13(8-10-15)17(19)12-5-6-12/h1-4,7-10,12,17H,5-6,11,19H2/t17-/m1/s1.
What are the key properties of (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine?
(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine has a molecular weight of 287.79 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine is sourced from PubChem (CID 165351367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).