N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine

C14H20ClNO — CID 56860101

IUPACN-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine
SMILESCN(CCc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C14H20ClNO/c1-16(14-7-10-17-11-8-14)9-6-12-2-4-13(15)5-3-12/h2-5,14H,6-11H2,1H3
InChIKeyZCRMYZUTGMFIKA-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.99
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine

N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine (PubChem CID 56860101) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine
PubChem CID56860101
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine
SMILESCN(CCc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C14H20ClNO/c1-16(14-7-10-17-11-8-14)9-6-12-2-4-13(15)5-3-12/h2-5,14H,6-11H2,1H3
InChIKeyZCRMYZUTGMFIKA-UHFFFAOYSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine (CID 56860101) is N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine is CN(CCc1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine?
The InChIKey is ZCRMYZUTGMFIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16(14-7-10-17-11-8-14)9-6-12-2-4-13(15)5-3-12/h2-5,14H,6-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine?
N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine has a molecular weight of 253.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine is sourced from PubChem (CID 56860101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).