[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol

C17H28N2O2 — CID 106360309

IUPAC[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol
SMILESCOCc1ccccc1C(CN)NC1CCCCC1CO
InChIInChI=1S/C17H28N2O2/c1-21-12-14-7-2-4-8-15(14)17(10-18)19-16-9-5-3-6-13(16)11-20/h2,4,7-8,13,16-17,19-20H,3,5-6,9-12,18H2,1H3
InChIKeyCWBXJIFORXQGEF-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.97
Rot. Bonds7

About [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol

[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol (PubChem CID 106360309) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol
PubChem CID106360309
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol
SMILESCOCc1ccccc1C(CN)NC1CCCCC1CO
InChIInChI=1S/C17H28N2O2/c1-21-12-14-7-2-4-8-15(14)17(10-18)19-16-9-5-3-6-13(16)11-20/h2,4,7-8,13,16-17,19-20H,3,5-6,9-12,18H2,1H3
InChIKeyCWBXJIFORXQGEF-UHFFFAOYSA-N
XLogP1.97
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol (CID 106360309) is [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol is COCc1ccccc1C(CN)NC1CCCCC1CO.
What is the InChIKey of [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol?
The InChIKey is CWBXJIFORXQGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-21-12-14-7-2-4-8-15(14)17(10-18)19-16-9-5-3-6-13(16)11-20/h2,4,7-8,13,16-17,19-20H,3,5-6,9-12,18H2,1H3.
What are the key properties of [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol?
[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol has a molecular weight of 292.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106360309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).