2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol

C18H29FN2O — CID 175873903

IUPAC2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol
SMILESCC(C)(CC1CCC(N)CC1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H29FN2O/c1-18(2,11-13-6-8-16(20)9-7-13)21-12-17(22)14-4-3-5-15(19)10-14/h3-5,10,13,16-17,21-22H,6-9,11-12,20H2,1-2H3
InChIKeyMNFNTPZINPKDIB-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.13
Rot. Bonds6

About 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol

2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol (PubChem CID 175873903) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol
PubChem CID175873903
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC Name2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol
SMILESCC(C)(CC1CCC(N)CC1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C18H29FN2O/c1-18(2,11-13-6-8-16(20)9-7-13)21-12-17(22)14-4-3-5-15(19)10-14/h3-5,10,13,16-17,21-22H,6-9,11-12,20H2,1-2H3
InChIKeyMNFNTPZINPKDIB-UHFFFAOYSA-N
XLogP3.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide
CID 175575869
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 114515612
1,1,1-trifluoro-N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexyl]methanesulfonamide;dihydrochloride
CID 175873884
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexyl]-2-methylpropane-1-sulfonamide
CID 171784846
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol (CID 175873903) is 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol is CC(C)(CC1CCC(N)CC1)NCC(O)c1cccc(F)c1.
What is the InChIKey of 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol?
The InChIKey is MNFNTPZINPKDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O/c1-18(2,11-13-6-8-16(20)9-7-13)21-12-17(22)14-4-3-5-15(19)10-14/h3-5,10,13,16-17,21-22H,6-9,11-12,20H2,1-2H3.
What are the key properties of 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol?
2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol has a molecular weight of 308.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 175873903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).