1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine

C14H21ClFNO — CID 105106068

IUPAC1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)CC(C)COC
InChIInChI=1S/C14H21ClFNO/c1-10(9-18-3)7-11(17-2)8-12-13(15)5-4-6-14(12)16/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyPQMUIIXHJPIEDK-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.28
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine

1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 105106068) 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-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
PubChem CID105106068
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)CC(C)COC
InChIInChI=1S/C14H21ClFNO/c1-10(9-18-3)7-11(17-2)8-12-13(15)5-4-6-14(12)16/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyPQMUIIXHJPIEDK-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine (CID 105106068) is 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine is CNC(Cc1c(F)cccc1Cl)CC(C)COC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is PQMUIIXHJPIEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-10(9-18-3)7-11(17-2)8-12-13(15)5-4-6-14(12)16/h4-6,10-11,17H,7-9H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine?
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 273.78 g/mol, XLogP of 3.28, 7 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-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 105106068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).