N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine

C16H26FNO — CID 116724680

IUPACN-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)C(OC)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-18-14(15(19-5)16(2,3)4)11-12-7-9-13(17)10-8-12/h7-10,14-15,18H,6,11H2,1-5H3
InChIKeyFKDLXHRZHQNOFJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.41
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine

N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine (PubChem CID 116724680) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
PubChem CID116724680
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)C(OC)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-18-14(15(19-5)16(2,3)4)11-12-7-9-13(17)10-8-12/h7-10,14-15,18H,6,11H2,1-5H3
InChIKeyFKDLXHRZHQNOFJ-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724396
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724752
N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311673
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 103049142
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 116724723
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724855
2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053308
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139010
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine (CID 116724680) is N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine is CCNC(Cc1ccc(F)cc1)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
The InChIKey is FKDLXHRZHQNOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-18-14(15(19-5)16(2,3)4)11-12-7-9-13(17)10-8-12/h7-10,14-15,18H,6,11H2,1-5H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine?
N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116724680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).