2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline

C18H29FN2 — CID 63533131

IUPAC2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)C1CCC(C)CC1
InChIInChI=1S/C18H29FN2/c1-5-20-14(3)17-12-15(19)8-11-18(17)21(4)16-9-6-13(2)7-10-16/h8,11-14,16,20H,5-7,9-10H2,1-4H3
InChIKeyWUABSYLDIDYRCT-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.51
Rot. Bonds5

About 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline

2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline (PubChem CID 63533131) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
PubChem CID63533131
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)C1CCC(C)CC1
InChIInChI=1S/C18H29FN2/c1-5-20-14(3)17-12-15(19)8-11-18(17)21(4)16-9-6-13(2)7-10-16/h8,11-14,16,20H,5-7,9-10H2,1-4H3
InChIKeyWUABSYLDIDYRCT-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570195
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63711350
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660621
N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 43611306
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63711528
2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
CID 61418293
4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 62376622
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline (CID 63533131) is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline is CCNC(C)c1cc(F)ccc1N(C)C1CCC(C)CC1.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is WUABSYLDIDYRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-20-14(3)17-12-15(19)8-11-18(17)21(4)16-9-6-13(2)7-10-16/h8,11-14,16,20H,5-7,9-10H2,1-4H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 292.44 g/mol, XLogP of 4.51, 5 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-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 63533131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).