[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol

C16H23F2NO — CID 79138448

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
SMILESCCC1CCCC(CN)(C(O)c2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2NO/c1-2-11-4-3-7-16(9-11,10-19)15(20)13-6-5-12(17)8-14(13)18/h5-6,8,11,15,20H,2-4,7,9-10,19H2,1H3
InChIKeyGMGDOMDEYAPRPY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.54
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol

[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol (PubChem CID 79138448) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
PubChem CID79138448
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
SMILESCCC1CCCC(CN)(C(O)c2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2NO/c1-2-11-4-3-7-16(9-11,10-19)15(20)13-6-5-12(17)8-14(13)18/h5-6,8,11,15,20H,2-4,7,9-10,19H2,1H3
InChIKeyGMGDOMDEYAPRPY-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79137679
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-difluorophenyl)methanol
CID 79138372
1-[(2,4-difluorophenyl)-hydroxymethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136634
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
CID 79138325
[1-(aminomethyl)-3-ethylcyclohexyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79126020
[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83094813
[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
CID 80603622
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
CID 79137517
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-chloro-4-fluorophenyl)methanol
CID 81157099
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
CID 79135100

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol (CID 79138448) is [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol is CCC1CCCC(CN)(C(O)c2ccc(F)cc2F)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol?
The InChIKey is GMGDOMDEYAPRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-2-11-4-3-7-16(9-11,10-19)15(20)13-6-5-12(17)8-14(13)18/h5-6,8,11,15,20H,2-4,7,9-10,19H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol has a molecular weight of 283.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 79138448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).