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

C14H21ClFNO — CID 103032302

IUPAC1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-4)9-8-12(17-3)13-10(15)6-5-7-11(13)16/h5-7,12,17H,8-9H2,1-4H3
InChIKeyKFQPIURZBPPEND-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.94
Rot. Bonds6

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

1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103032302) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103032302
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-4)9-8-12(17-3)13-10(15)6-5-7-11(13)16/h5-7,12,17H,8-9H2,1-4H3
InChIKeyKFQPIURZBPPEND-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794403
1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987746
1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032263
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044732
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975543
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103032302) is 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is KFQPIURZBPPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-14(2,18-4)9-8-12(17-3)13-10(15)6-5-7-11(13)16/h5-7,12,17H,8-9H2,1-4H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 3.94, 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)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103032302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).