N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine

C14H22FNO — CID 43561454

IUPACN-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1F)C(C)CC
InChIInChI=1S/C14H22FNO/c1-5-10(3)14(16-6-2)12-8-7-11(17-4)9-13(12)15/h7-10,14,16H,5-6H2,1-4H3
InChIKeyAPBBASPMBLHTRY-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.53
Rot. Bonds6

About N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine

N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine (PubChem CID 43561454) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
PubChem CID43561454
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1F)C(C)CC
InChIInChI=1S/C14H22FNO/c1-5-10(3)14(16-6-2)12-8-7-11(17-4)9-13(12)15/h7-10,14,16H,5-6H2,1-4H3
InChIKeyAPBBASPMBLHTRY-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-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine (CID 43561454) is N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine is CCNC(c1ccc(OC)cc1F)C(C)CC.
What is the InChIKey of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
The InChIKey is APBBASPMBLHTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-10(3)14(16-6-2)12-8-7-11(17-4)9-13(12)15/h7-10,14,16H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine?
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-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-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 43561454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).