2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline

C16H27FN2 — CID 43570195

IUPAC2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)C(C)C(C)C
InChIInChI=1S/C16H27FN2/c1-7-18-12(4)15-10-14(17)8-9-16(15)19(6)13(5)11(2)3/h8-13,18H,7H2,1-6H3
InChIKeyLJFRWIOUGMZNPI-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.98
Rot. Bonds6

About 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline

2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43570195) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43570195
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)C(C)C(C)C
InChIInChI=1S/C16H27FN2/c1-7-18-12(4)15-10-14(17)8-9-16(15)19(6)13(5)11(2)3/h8-13,18H,7H2,1-6H3
InChIKeyLJFRWIOUGMZNPI-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660621
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570188
2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
CID 61418293
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63533131
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 55225305
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63711350
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
CID 63982799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline (CID 43570195) is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline is CCNC(C)c1cc(F)ccc1N(C)C(C)C(C)C.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is LJFRWIOUGMZNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-7-18-12(4)15-10-14(17)8-9-16(15)19(6)13(5)11(2)3/h8-13,18H,7H2,1-6H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 266.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43570195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).