2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine

C17H27NO2 — CID 163732576

IUPAC2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-17(2,13-18)20-16-10-6-9-15(11-16)19-12-14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8,12-13,18H2,1-2H3
InChIKeyLAVQSHWZTXAPHE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds6

About 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine

2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine (PubChem CID 163732576) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
PubChem CID163732576
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
SMILESCC(C)(CN)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-17(2,13-18)20-16-10-6-9-15(11-16)19-12-14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8,12-13,18H2,1-2H3
InChIKeyLAVQSHWZTXAPHE-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 141350221
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine
CID 166538029
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
3-[3-(cyclohexylmethoxy)phenyl]hexan-1-amine
CID 143785986
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
cyclohexylmethoxybenzene
CID 14399287

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine (CID 163732576) is 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine is CC(C)(CN)Oc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine?
The InChIKey is LAVQSHWZTXAPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,13-18)20-16-10-6-9-15(11-16)19-12-14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8,12-13,18H2,1-2H3.
What are the key properties of 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine?
2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine is sourced from PubChem (CID 163732576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).