2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol

C13H19NO3 — CID 83229458

IUPAC2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNOC2CCCC2)c1
InChIInChI=1S/C13H19NO3/c1-16-12-6-7-13(15)10(8-12)9-14-17-11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3
InChIKeyVVVZYWOEGPGDND-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds5

About 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol

2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol (PubChem CID 83229458) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
PubChem CID83229458
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNOC2CCCC2)c1
InChIInChI=1S/C13H19NO3/c1-16-12-6-7-13(15)10(8-12)9-14-17-11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3
InChIKeyVVVZYWOEGPGDND-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
2-[(cyclooctylamino)methyl]-4-(2,5-dimethoxyphenyl)phenol
CID 45488585
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
CID 43694220
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol (CID 83229458) is 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNOC2CCCC2)c1.
What is the InChIKey of 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol?
The InChIKey is VVVZYWOEGPGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-12-6-7-13(15)10(8-12)9-14-17-11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3.
What are the key properties of 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol?
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol has a molecular weight of 237.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol is sourced from PubChem (CID 83229458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).