4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol

C15H23NO2 — CID 107411546

IUPAC4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCC2CCC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-3-4-12(7-11)9-16-10-13-8-14(18-2)5-6-15(13)17/h5-6,8,11-12,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyKHQSIVZQPJARNQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds5

About 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol

4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol (PubChem CID 107411546) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
PubChem CID107411546
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCC2CCC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-3-4-12(7-11)9-16-10-13-8-14(18-2)5-6-15(13)17/h5-6,8,11-12,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyKHQSIVZQPJARNQ-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 43710025
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411472

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol (CID 107411546) is 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol is COc1ccc(O)c(CNCC2CCC(C)C2)c1.
What is the InChIKey of 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The InChIKey is KHQSIVZQPJARNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-3-4-12(7-11)9-16-10-13-8-14(18-2)5-6-15(13)17/h5-6,8,11-12,16-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 107411546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).