2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol

C15H23NO — CID 82976860

IUPAC2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
SMILESCCN(Cc1cc(C)ccc1O)C1CCCC1
InChIInChI=1S/C15H23NO/c1-3-16(14-6-4-5-7-14)11-13-10-12(2)8-9-15(13)17/h8-10,14,17H,3-7,11H2,1-2H3
InChIKeySEDDVVVOXLDJCV-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.47
Rot. Bonds4

About 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol

2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol (PubChem CID 82976860) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
PubChem CID82976860
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
SMILESCCN(Cc1cc(C)ccc1O)C1CCCC1
InChIInChI=1S/C15H23NO/c1-3-16(14-6-4-5-7-14)11-13-10-12(2)8-9-15(13)17/h8-10,14,17H,3-7,11H2,1-2H3
InChIKeySEDDVVVOXLDJCV-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Tolterodine
CID 443879
2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
Phenol, 4-[(dimethylamino)methyl]-2,6-bis(1,1-dimethylethyl)-
CID 66609
Nap-226-90
CID 445892
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
4-((Dimethylamino)methyl)phenol
CID 32895
2-((Dimethylamino)methyl)phenol
CID 32897
Bialamicol
CID 10304
3-(1-Dimethylaminoethyl)phenol
CID 409441
(2-Hydroxyphenyl)(Pyrrolidin-1-Yl)methanethione
CID 551134
Biallylamicol dihydrochlorde
CID 23616896
GNF-Pf-5310
CID 241056

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol (CID 82976860) is 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol is CCN(Cc1cc(C)ccc1O)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol?
The InChIKey is SEDDVVVOXLDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16(14-6-4-5-7-14)11-13-10-12(2)8-9-15(13)17/h8-10,14,17H,3-7,11H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol?
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol has a molecular weight of 233.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 82976860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).