1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine

C20H31NO3 — CID 54804284

IUPAC1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
SMILESCOc1cccc(CNCC2CCCCC2)c1OCC1CCCO1
InChIInChI=1S/C20H31NO3/c1-22-19-11-5-9-17(14-21-13-16-7-3-2-4-8-16)20(19)24-15-18-10-6-12-23-18/h5,9,11,16,18,21H,2-4,6-8,10,12-15H2,1H3
InChIKeyVOSAVDCZIDNBOH-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.92
Rot. Bonds8

About 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine

1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine (PubChem CID 54804284) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
PubChem CID54804284
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
SMILESCOc1cccc(CNCC2CCCCC2)c1OCC1CCCO1
InChIInChI=1S/C20H31NO3/c1-22-19-11-5-9-17(14-21-13-16-7-3-2-4-8-16)20(19)24-15-18-10-6-12-23-18/h5,9,11,16,18,21H,2-4,6-8,10,12-15H2,1H3
InChIKeyVOSAVDCZIDNBOH-UHFFFAOYSA-N
XLogP3.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine
CID 54850191
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]heptan-1-amine
CID 54847644
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290269
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine (CID 54804284) is 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine is COc1cccc(CNCC2CCCCC2)c1OCC1CCCO1.
What is the InChIKey of 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine?
The InChIKey is VOSAVDCZIDNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-22-19-11-5-9-17(14-21-13-16-7-3-2-4-8-16)20(19)24-15-18-10-6-12-23-18/h5,9,11,16,18,21H,2-4,6-8,10,12-15H2,1H3.
What are the key properties of 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine?
1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine has a molecular weight of 333.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 54804284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).