N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine

C14H22FNO — CID 115782357

IUPACN-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H22FNO/c1-5-16-13(8-10(2)3)11-6-7-12(15)14(9-11)17-4/h6-7,9-10,13,16H,5,8H2,1-4H3
InChIKeyUDPFQAOHZDESGQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.53
Rot. Bonds6

About N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine

N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine (PubChem CID 115782357) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
PubChem CID115782357
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H22FNO/c1-5-16-13(8-10(2)3)11-6-7-12(15)14(9-11)17-4/h6-7,9-10,13,16H,5,8H2,1-4H3
InChIKeyUDPFQAOHZDESGQ-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
CID 81284854
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 62865865
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
N-ethyl-1-(4-fluoro-3-methoxyphenyl)oct-7-en-1-amine
CID 107012046
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine (CID 115782357) is N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine is CCNC(CC(C)C)c1ccc(F)c(OC)c1.
What is the InChIKey of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is UDPFQAOHZDESGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-16-13(8-10(2)3)11-6-7-12(15)14(9-11)17-4/h6-7,9-10,13,16H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine?
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.53, 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-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 115782357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).