N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline

C16H25FN2 — CID 64682474

IUPACN-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline
SMILESCCN(CCC1(N)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-2-19(15-8-6-14(17)7-9-15)13-12-16(18)10-4-3-5-11-16/h6-9H,2-5,10-13,18H2,1H3
InChIKeyMLVUNATYXVGZSF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline

N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline (PubChem CID 64682474) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline
PubChem CID64682474
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline
SMILESCCN(CCC1(N)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-2-19(15-8-6-14(17)7-9-15)13-12-16(18)10-4-3-5-11-16/h6-9H,2-5,10-13,18H2,1H3
InChIKeyMLVUNATYXVGZSF-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679516
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N,N-diethyl-4-fluoroaniline
CID 592416
N-[(1-aminocyclohexyl)methyl]-N-ethylaniline
CID 28599063
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
CID 64892421
N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 62575307
N-ethyl-4-fluoro-N-[(3-methylpiperidin-3-yl)methyl]aniline
CID 63133905
2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
CID 63054688
N'-ethyl-N'-(4-fluorophenyl)-2-methylbutane-1,4-diamine
CID 81080487
ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
CID 143503842

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline?
The IUPAC name of N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline (CID 64682474) is N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline is CCN(CCC1(N)CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline?
The InChIKey is MLVUNATYXVGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-19(15-8-6-14(17)7-9-15)13-12-16(18)10-4-3-5-11-16/h6-9H,2-5,10-13,18H2,1H3.
What are the key properties of N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline?
N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclohexyl)ethyl]-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 64682474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).