2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine

C15H25FN2 — CID 79053308

IUPAC2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCCNC(Cc1ccc(F)cc1)C(C)(C)N(C)C
InChIInChI=1S/C15H25FN2/c1-6-17-14(15(2,3)18(4)5)11-12-7-9-13(16)10-8-12/h7-10,14,17H,6,11H2,1-5H3
InChIKeyHYSVUOIWEYCKPK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.69
Rot. Bonds6

About 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine

2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 79053308) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID79053308
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCCNC(Cc1ccc(F)cc1)C(C)(C)N(C)C
InChIInChI=1S/C15H25FN2/c1-6-17-14(15(2,3)18(4)5)11-12-7-9-13(16)10-8-12/h7-10,14,17H,6,11H2,1-5H3
InChIKeyHYSVUOIWEYCKPK-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-3-N,3-N,3-trimethyl-1-[4-(trifluoromethyl)phenyl]butane-2,3-diamine
CID 79046053
1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 114932249
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053023
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
2-N-ethyl-1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052816
1-(3-bromo-4-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063157
1-(4-bromophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064098
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311673
1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 105406535
1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 79053308) is 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is CCNC(Cc1ccc(F)cc1)C(C)(C)N(C)C.
What is the InChIKey of 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is HYSVUOIWEYCKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-17-14(15(2,3)18(4)5)11-12-7-9-13(16)10-8-12/h7-10,14,17H,6,11H2,1-5H3.
What are the key properties of 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 79053308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).