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

C16H25NO2 — CID 67316667

IUPAC2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
SMILESCC(CN)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(11-17)19-16-9-5-8-15(10-16)18-12-14-6-3-2-4-7-14/h5,8-10,13-14H,2-4,6-7,11-12,17H2,1H3
InChIKeyWFJBTRHWOXULLE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds6

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

2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine (PubChem CID 67316667) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound Name2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
PubChem CID67316667
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
SMILESCC(CN)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(11-17)19-16-9-5-8-15(10-16)18-12-14-6-3-2-4-7-14/h5,8-10,13-14H,2-4,6-7,11-12,17H2,1H3
InChIKeyWFJBTRHWOXULLE-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
CID 170000859
2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate
CID 143785987
2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
CID 68856997
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
CID 163732576
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine?
The IUPAC name of 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine (CID 67316667) is 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine.
What is the SMILES notation for 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine?
The canonical SMILES for 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine is CC(CN)Oc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine?
The InChIKey is WFJBTRHWOXULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(11-17)19-16-9-5-8-15(10-16)18-12-14-6-3-2-4-7-14/h5,8-10,13-14H,2-4,6-7,11-12,17H2,1H3.
What are the key properties of 2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine?
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 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]propan-1-amine is sourced from PubChem (CID 67316667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).