N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine

C15H24FN — CID 114348792

IUPACN-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1C)C(C)C
InChIInChI=1S/C15H24FN/c1-5-17-10-14(11(2)3)9-13-6-7-15(16)8-12(13)4/h6-8,11,14,17H,5,9-10H2,1-4H3
InChIKeyUVGXRPMUZNHWPY-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.56
Rot. Bonds6

About N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine

N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 114348792) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
PubChem CID114348792
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1C)C(C)C
InChIInChI=1S/C15H24FN/c1-5-17-10-14(11(2)3)9-13-6-7-15(16)8-12(13)4/h6-8,11,14,17H,5,9-10H2,1-4H3
InChIKeyUVGXRPMUZNHWPY-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(bromomethyl)-3-methylbutyl]-4-fluoro-2-methylbenzene
CID 114349908
2-[(4-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 55082719
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442462
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528560
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63521679
4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81016553
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114349189
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 102858672
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine (CID 114348792) is N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine is CCNCC(Cc1ccc(F)cc1C)C(C)C.
What is the InChIKey of N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is UVGXRPMUZNHWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-17-10-14(11(2)3)9-13-6-7-15(16)8-12(13)4/h6-8,11,14,17H,5,9-10H2,1-4H3.
What are the key properties of N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine?
N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 114348792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).