1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine

C16H25NO — CID 112608444

IUPAC1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13-7-6-10-15(11-17-2)16(13)18-12-14-8-4-3-5-9-14/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyDHGVSJGBXVKYFO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine

1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 112608444) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID112608444
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13-7-6-10-15(11-17-2)16(13)18-12-14-8-4-3-5-9-14/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3
InChIKeyDHGVSJGBXVKYFO-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952258
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine (CID 112608444) is 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is DHGVSJGBXVKYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-7-6-10-15(11-17-2)16(13)18-12-14-8-4-3-5-9-14/h6-7,10,14,17H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine?
1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 112608444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).