3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine

C15H20ClNO — CID 71646485

IUPAC3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine
SMILESClc1ccccc1CC1COCCC1NC1CC1
InChIInChI=1S/C15H20ClNO/c16-14-4-2-1-3-11(14)9-12-10-18-8-7-15(12)17-13-5-6-13/h1-4,12-13,15,17H,5-10H2
InChIKeyWFAJWMWEAZFCMD-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.04
Rot. Bonds4

About 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine

3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine (PubChem CID 71646485) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine
PubChem CID71646485
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine
SMILESClc1ccccc1CC1COCCC1NC1CC1
InChIInChI=1S/C15H20ClNO/c16-14-4-2-1-3-11(14)9-12-10-18-8-7-15(12)17-13-5-6-13/h1-4,12-13,15,17H,5-10H2
InChIKeyWFAJWMWEAZFCMD-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine (CID 71646485) is 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine is Clc1ccccc1CC1COCCC1NC1CC1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine?
The InChIKey is WFAJWMWEAZFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-4-2-1-3-11(14)9-12-10-18-8-7-15(12)17-13-5-6-13/h1-4,12-13,15,17H,5-10H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine?
3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine has a molecular weight of 265.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-N-cyclopropyloxan-4-amine is sourced from PubChem (CID 71646485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).