[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol

C16H25FN2O2 — CID 106360364

IUPAC[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
SMILESCOc1ccc(C(CN)NC2CCCCC2CO)cc1F
InChIInChI=1S/C16H25FN2O2/c1-21-16-7-6-11(8-13(16)17)15(9-18)19-14-5-3-2-4-12(14)10-20/h6-8,12,14-15,19-20H,2-5,9-10,18H2,1H3
InChIKeyMJYFKFQRFPYDSQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.97
Rot. Bonds6

About [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol

[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol (PubChem CID 106360364) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
PubChem CID106360364
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
SMILESCOc1ccc(C(CN)NC2CCCCC2CO)cc1F
InChIInChI=1S/C16H25FN2O2/c1-21-16-7-6-11(8-13(16)17)15(9-18)19-14-5-3-2-4-12(14)10-20/h6-8,12,14-15,19-20H,2-5,9-10,18H2,1H3
InChIKeyMJYFKFQRFPYDSQ-UHFFFAOYSA-N
XLogP1.97
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
[2-[[2-amino-1-(2-fluoro-5-methylphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360487
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544711
[2-[[2-amino-1-(2-chloro-6-methoxyphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360404
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
[2-[[2-amino-1-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclopentyl]methanol
CID 106359978
[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320
[2-[[2-amino-1-(2-fluorophenyl)ethyl]amino]cyclopentyl]methanol
CID 114178543
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
[2-[1-(3-fluorophenyl)propylamino]cyclohexyl]methanol
CID 102612788
[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol
CID 106360309
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol (CID 106360364) is [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol is COc1ccc(C(CN)NC2CCCCC2CO)cc1F.
What is the InChIKey of [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
The InChIKey is MJYFKFQRFPYDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-21-16-7-6-11(8-13(16)17)15(9-18)19-14-5-3-2-4-12(14)10-20/h6-8,12,14-15,19-20H,2-5,9-10,18H2,1H3.
What are the key properties of [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol?
[2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol has a molecular weight of 296.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106360364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).