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

C15H23NO — CID 112608312

IUPAC1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCC1CCCC1
InChIInChI=1S/C15H23NO/c1-12-6-5-9-14(10-16-2)15(12)17-11-13-7-3-4-8-13/h5-6,9,13,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyWQYZAARDFVWFRH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.28
Rot. Bonds5

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

1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 112608312) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID112608312
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCC1CCCC1
InChIInChI=1S/C15H23NO/c1-12-6-5-9-14(10-16-2)15(12)17-11-13-7-3-4-8-13/h5-6,9,13,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyWQYZAARDFVWFRH-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608444
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
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-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine (CID 112608312) is 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is WQYZAARDFVWFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-5-9-14(10-16-2)15(12)17-11-13-7-3-4-8-13/h5-6,9,13,16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine?
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 112608312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).