1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine

C14H21ClFNO — CID 103036012

IUPAC1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-3)8-7-11(17)9-10-5-4-6-12(15)13(10)16/h4-6,11H,7-9,17H2,1-3H3
InChIKeyVRPZNYIDICGAHK-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine

1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine (PubChem CID 103036012) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
PubChem CID103036012
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-3)8-7-11(17)9-10-5-4-6-12(15)13(10)16/h4-6,11H,7-9,17H2,1-3H3
InChIKeyVRPZNYIDICGAHK-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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Related Compounds

1-(3-Chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
[1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025206
[1-(4-Chloro-2-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025440
[1-(2-Chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025467
[1-(4-Chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025525
[1-(2-Chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025528
[1-(2-Chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025530

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine (CID 103036012) is 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
The InChIKey is VRPZNYIDICGAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-14(2,18-3)8-7-11(17)9-10-5-4-6-12(15)13(10)16/h4-6,11H,7-9,17H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine?
1-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103036012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).