N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine

C17H27FN2 — CID 63504348

IUPACN'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCCC1CCC(N(C)CCNc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-3-14-4-10-17(11-5-14)20(2)13-12-19-16-8-6-15(18)7-9-16/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyWLKDDPSGERFBSY-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.14
Rot. Bonds6

About N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine

N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 63504348) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID63504348
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCCC1CCC(N(C)CCNc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-3-14-4-10-17(11-5-14)20(2)13-12-19-16-8-6-15(18)7-9-16/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyWLKDDPSGERFBSY-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62977988
N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62980103
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluorobenzene-1,2-diamine
CID 62974996
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
N'-(4-ethylcyclohexyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556346
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63685539
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
N-[(5-chlorothiophen-2-yl)methyl]-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 63504010
N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 62555539

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine (CID 63504348) is N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine is CCC1CCC(N(C)CCNc2ccc(F)cc2)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is WLKDDPSGERFBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-14-4-10-17(11-5-14)20(2)13-12-19-16-8-6-15(18)7-9-16/h6-9,14,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 278.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63504348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).