2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol

C15H23NO — CID 82721244

IUPAC2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
SMILESCC(c1ccccc1O)N(C)CC1CCCC1
InChIInChI=1S/C15H23NO/c1-12(14-9-5-6-10-15(14)17)16(2)11-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3
InChIKeyMGPYDBUQOGGCTM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.58
Rot. Bonds4

About 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol

2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol (PubChem CID 82721244) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
PubChem CID82721244
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
SMILESCC(c1ccccc1O)N(C)CC1CCCC1
InChIInChI=1S/C15H23NO/c1-12(14-9-5-6-10-15(14)17)16(2)11-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3
InChIKeyMGPYDBUQOGGCTM-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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

2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide
CID 61453739
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 79707423
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol (CID 82721244) is 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol is CC(c1ccccc1O)N(C)CC1CCCC1.
What is the InChIKey of 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol?
The InChIKey is MGPYDBUQOGGCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(14-9-5-6-10-15(14)17)16(2)11-13-7-3-4-8-13/h5-6,9-10,12-13,17H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol?
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol is sourced from PubChem (CID 82721244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).