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

C17H27NO2 — CID 170000859

IUPAC(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
SMILESCNC[C@@H](C)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-14(12-18-2)20-17-10-6-9-16(11-17)19-13-15-7-4-3-5-8-15/h6,9-11,14-15,18H,3-5,7-8,12-13H2,1-2H3/t14-/m1/s1
InChIKeyGUUTXGSMPZNUEK-CQSZACIVSA-N
MW277.41 g/mol
LogP3.63
Rot. Bonds7

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

(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine (PubChem CID 170000859) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
PubChem CID170000859
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
SMILESCNC[C@@H](C)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-14(12-18-2)20-17-10-6-9-16(11-17)19-13-15-7-4-3-5-8-15/h6,9-11,14-15,18H,3-5,7-8,12-13H2,1-2H3/t14-/m1/s1
InChIKeyGUUTXGSMPZNUEK-CQSZACIVSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
CID 68856997
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate
CID 143785987
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
CID 170001159
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline
CID 144834348

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine?
The IUPAC name of (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine (CID 170000859) is (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine.
What is the SMILES notation for (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine?
The canonical SMILES for (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine is CNC[C@@H](C)Oc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine?
The InChIKey is GUUTXGSMPZNUEK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(12-18-2)20-17-10-6-9-16(11-17)19-13-15-7-4-3-5-8-15/h6,9-11,14-15,18H,3-5,7-8,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine?
(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 170000859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).