2-[(cyclopentylmethylamino)methyl]phenol

C13H19NO — CID 43370918

IUPAC2-[(cyclopentylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCC1CCCC1
InChIInChI=1S/C13H19NO/c15-13-8-4-3-7-12(13)10-14-9-11-5-1-2-6-11/h3-4,7-8,11,14-15H,1-2,5-6,9-10H2
InChIKeyYMDOYXVXTANKJX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds4

About 2-[(cyclopentylmethylamino)methyl]phenol

2-[(cyclopentylmethylamino)methyl]phenol (PubChem CID 43370918) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(cyclopentylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(cyclopentylmethylamino)methyl]phenol
PubChem CID43370918
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(cyclopentylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCC1CCCC1
InChIInChI=1S/C13H19NO/c15-13-8-4-3-7-12(13)10-14-9-11-5-1-2-6-11/h3-4,7-8,11,14-15H,1-2,5-6,9-10H2
InChIKeyYMDOYXVXTANKJX-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
2-(cyclobutylmethyl)phenol
CID 115012772
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-(2-cyclopentylethyl)phenol
CID 57085599
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylmethylamino)methyl]phenol?
The IUPAC name of 2-[(cyclopentylmethylamino)methyl]phenol (CID 43370918) is 2-[(cyclopentylmethylamino)methyl]phenol.
What is the SMILES notation for 2-[(cyclopentylmethylamino)methyl]phenol?
The canonical SMILES for 2-[(cyclopentylmethylamino)methyl]phenol is Oc1ccccc1CNCC1CCCC1.
What is the InChIKey of 2-[(cyclopentylmethylamino)methyl]phenol?
The InChIKey is YMDOYXVXTANKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-8-4-3-7-12(13)10-14-9-11-5-1-2-6-11/h3-4,7-8,11,14-15H,1-2,5-6,9-10H2.
What are the key properties of 2-[(cyclopentylmethylamino)methyl]phenol?
2-[(cyclopentylmethylamino)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylmethylamino)methyl]phenol is sourced from PubChem (CID 43370918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).