1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine

C14H21ClFNO — CID 103031574

IUPAC1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-3)8-7-10(17)9-11-12(15)5-4-6-13(11)16/h4-6,10H,7-9,17H2,1-3H3
InChIKeyOIOXZLAOWSGLAQ-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.55
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine

1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine (PubChem CID 103031574) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
PubChem CID103031574
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-3)8-7-10(17)9-11-12(15)5-4-6-13(11)16/h4-6,10H,7-9,17H2,1-3H3
InChIKeyOIOXZLAOWSGLAQ-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine (CID 103031574) is 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
The InChIKey is OIOXZLAOWSGLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-14(2,18-3)8-7-10(17)9-11-12(15)5-4-6-13(11)16/h4-6,10H,7-9,17H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine has a molecular weight of 273.78 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103031574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).