N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine

C15H24FN — CID 83139010

IUPACN-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H24FN/c1-5-17-11-13(15(2,3)4)10-12-6-8-14(16)9-7-12/h6-9,13,17H,5,10-11H2,1-4H3
InChIKeyMCESIJJJXCUOPN-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.64
Rot. Bonds5

About N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine

N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 83139010) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID83139010
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H24FN/c1-5-17-11-13(15(2,3)4)10-12-6-8-14(16)9-7-12/h6-9,13,17H,5,10-11H2,1-4H3
InChIKeyMCESIJJJXCUOPN-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83139698
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
3,3-dimethyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83141197
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138561
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine (CID 83139010) is N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine is CCNCC(Cc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is MCESIJJJXCUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-17-11-13(15(2,3)4)10-12-6-8-14(16)9-7-12/h6-9,13,17H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine?
N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83139010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).