5-[(cyclopentylamino)methyl]-2-methylphenol

C13H19NO — CID 117221552

IUPAC5-[(cyclopentylamino)methyl]-2-methylphenol
SMILESCc1ccc(CNC2CCCC2)cc1O
InChIInChI=1S/C13H19NO/c1-10-6-7-11(8-13(10)15)9-14-12-4-2-3-5-12/h6-8,12,14-15H,2-5,9H2,1H3
InChIKeyBMYHQZZBNCTRGG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds3

About 5-[(cyclopentylamino)methyl]-2-methylphenol

5-[(cyclopentylamino)methyl]-2-methylphenol (PubChem CID 117221552) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-[(cyclopentylamino)methyl]-2-methylphenol.

Molecular Properties

Compound Name5-[(cyclopentylamino)methyl]-2-methylphenol
PubChem CID117221552
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-[(cyclopentylamino)methyl]-2-methylphenol
SMILESCc1ccc(CNC2CCCC2)cc1O
InChIInChI=1S/C13H19NO/c1-10-6-7-11(8-13(10)15)9-14-12-4-2-3-5-12/h6-8,12,14-15H,2-5,9H2,1H3
InChIKeyBMYHQZZBNCTRGG-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
4-[[[(2R)-2-[(3,4-dihydroxyphenyl)methylamino]cyclohexyl]amino]methyl]benzene-1,2-diol
CID 24750954
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
CID 117219993
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
3-[(cyclobutylamino)methyl]phenol
CID 62416890
[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
CID 105407183
4-[(thian-3-ylamino)methyl]benzene-1,2-diol
CID 115869231

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylamino)methyl]-2-methylphenol?
The IUPAC name of 5-[(cyclopentylamino)methyl]-2-methylphenol (CID 117221552) is 5-[(cyclopentylamino)methyl]-2-methylphenol.
What is the SMILES notation for 5-[(cyclopentylamino)methyl]-2-methylphenol?
The canonical SMILES for 5-[(cyclopentylamino)methyl]-2-methylphenol is Cc1ccc(CNC2CCCC2)cc1O.
What is the InChIKey of 5-[(cyclopentylamino)methyl]-2-methylphenol?
The InChIKey is BMYHQZZBNCTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-7-11(8-13(10)15)9-14-12-4-2-3-5-12/h6-8,12,14-15H,2-5,9H2,1H3.
What are the key properties of 5-[(cyclopentylamino)methyl]-2-methylphenol?
5-[(cyclopentylamino)methyl]-2-methylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylamino)methyl]-2-methylphenol is sourced from PubChem (CID 117221552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).