N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane

C16H28FN — CID 167488547

IUPACN-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane
SMILESCC.CCCCN(CC)c1cc(C)c(C)c(F)c1
InChIInChI=1S/C14H22FN.C2H6/c1-5-7-8-16(6-2)13-9-11(3)12(4)14(15)10-13;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeySLTKJZHXRKVTES-UHFFFAOYSA-N
MW253.40 g/mol
LogP5.10
Rot. Bonds5

About N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane

N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane (PubChem CID 167488547) has the molecular formula C16H28FN and a molecular weight of 253.40 g/mol. Its IUPAC name is N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane.

Molecular Properties

Compound NameN-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane
PubChem CID167488547
Molecular FormulaC16H28FN
Molecular Weight253.40 g/mol
Exact Mass253.22
IUPAC NameN-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane
SMILESCC.CCCCN(CC)c1cc(C)c(C)c(F)c1
InChIInChI=1S/C14H22FN.C2H6/c1-5-7-8-16(6-2)13-9-11(3)12(4)14(15)10-13;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeySLTKJZHXRKVTES-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
4-(bromomethyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 107079325
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
4-(dibutylamino)-2-fluorobenzoic acid
CID 113319789
N-butyl-3,5-dimethyl-N-propylthiophen-2-amine;ethane
CID 163242602
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
N,N-dibutyl-4-fluoroaniline
CID 15399711
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CID 57172568

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane?
The IUPAC name of N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane (CID 167488547) is N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane.
What is the SMILES notation for N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane?
The canonical SMILES for N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane is CC.CCCCN(CC)c1cc(C)c(C)c(F)c1.
What is the InChIKey of N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane?
The InChIKey is SLTKJZHXRKVTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN.C2H6/c1-5-7-8-16(6-2)13-9-11(3)12(4)14(15)10-13;1-2/h9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane?
N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane has a molecular weight of 253.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3-fluoro-4,5-dimethylaniline;ethane is sourced from PubChem (CID 167488547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).