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

C14H21ClFNO — CID 103031675

IUPAC1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-4)8-7-13(17-3)11-6-5-10(15)9-12(11)16/h5-6,9,13,17H,7-8H2,1-4H3
InChIKeySEJZXENJVWTOBX-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.94
Rot. Bonds6

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

1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103031675) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103031675
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFNO/c1-14(2,18-4)8-7-13(17-3)11-6-5-10(15)9-12(11)16/h5-6,9,13,17H,7-8H2,1-4H3
InChIKeySEJZXENJVWTOBX-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-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026559
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031602
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032263
1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760823
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026429
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 105022440

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103031675) is 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is SEJZXENJVWTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-14(2,18-4)8-7-13(17-3)11-6-5-10(15)9-12(11)16/h5-6,9,13,17H,7-8H2,1-4H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103031675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).