1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine

C13H20ClNO — CID 116757360

IUPAC1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine
SMILESCCC(C)(OC)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-13(2,16-3)12(15)9-10-5-7-11(14)8-6-10/h5-8,12H,4,9,15H2,1-3H3
InChIKeyJBAHLNPECKLSPB-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine

1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine (PubChem CID 116757360) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine
PubChem CID116757360
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine
SMILESCCC(C)(OC)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-4-13(2,16-3)12(15)9-10-5-7-11(14)8-6-10/h5-8,12H,4,9,15H2,1-3H3
InChIKeyJBAHLNPECKLSPB-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine (CID 116757360) is 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine is CCC(C)(OC)C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine?
The InChIKey is JBAHLNPECKLSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-13(2,16-3)12(15)9-10-5-7-11(14)8-6-10/h5-8,12H,4,9,15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine?
1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116757360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).