1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol

C17H28N2O2 — CID 61443793

IUPAC1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(N(C)CC(O)COc2cccc(N)c2)C1
InChIInChI=1S/C17H28N2O2/c1-13-5-3-7-15(9-13)19(2)11-16(20)12-21-17-8-4-6-14(18)10-17/h4,6,8,10,13,15-16,20H,3,5,7,9,11-12,18H2,1-2H3
InChIKeyYIQSUQYEIKNOOG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds6

About 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol

1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol (PubChem CID 61443793) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
PubChem CID61443793
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(N(C)CC(O)COc2cccc(N)c2)C1
InChIInChI=1S/C17H28N2O2/c1-13-5-3-7-15(9-13)19(2)11-16(20)12-21-17-8-4-6-14(18)10-17/h4,6,8,10,13,15-16,20H,3,5,7,9,11-12,18H2,1-2H3
InChIKeyYIQSUQYEIKNOOG-UHFFFAOYSA-N
XLogP2.52
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol
CID 102860471
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 61450020
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61425754
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
3-[[3-(3-aminophenoxy)-2-hydroxypropyl]-methylamino]propanenitrile
CID 43364541
1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 110888306
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol (CID 61443793) is 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol is CC1CCCC(N(C)CC(O)COc2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is YIQSUQYEIKNOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-5-3-7-15(9-13)19(2)11-16(20)12-21-17-8-4-6-14(18)10-17/h4,6,8,10,13,15-16,20H,3,5,7,9,11-12,18H2,1-2H3.
What are the key properties of 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 61443793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).