4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine

C15H22F2N2 — CID 79116008

IUPAC4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(Cc1ccc(F)c(F)c1)C1CCC(N)CC1
InChIInChI=1S/C15H22F2N2/c1-2-19(13-6-4-12(18)5-7-13)10-11-3-8-14(16)15(17)9-11/h3,8-9,12-13H,2,4-7,10,18H2,1H3
InChIKeyVOBRFXRCEDRLCU-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.06
Rot. Bonds4

About 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine

4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 79116008) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
PubChem CID79116008
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(Cc1ccc(F)c(F)c1)C1CCC(N)CC1
InChIInChI=1S/C15H22F2N2/c1-2-19(13-6-4-12(18)5-7-13)10-11-3-8-14(16)15(17)9-11/h3,8-9,12-13H,2,4-7,10,18H2,1H3
InChIKeyVOBRFXRCEDRLCU-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
CID 79115137
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
4-N-[(2-chloro-4-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115783
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 74244749
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
2-[cyclopentyl-[(3,4-difluorophenyl)methyl]amino]ethanethioamide
CID 82919269
4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
CID 79115828

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine (CID 79116008) is 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine is CCN(Cc1ccc(F)c(F)c1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is VOBRFXRCEDRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-19(13-6-4-12(18)5-7-13)10-11-3-8-14(16)15(17)9-11/h3,8-9,12-13H,2,4-7,10,18H2,1H3.
What are the key properties of 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79116008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).