4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol

C15H23ClN2O2 — CID 104646604

IUPAC4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCCCN2CCCC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-20-14-10-13(16)9-12(15(14)19)11-17-5-4-8-18-6-2-3-7-18/h9-10,17,19H,2-8,11H2,1H3
InChIKeyAOJRGTJWNOSQAO-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.63
Rot. Bonds7

About 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol

4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol (PubChem CID 104646604) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
PubChem CID104646604
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCCCN2CCCC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-20-14-10-13(16)9-12(15(14)19)11-17-5-4-8-18-6-2-3-7-18/h9-10,17,19H,2-8,11H2,1H3
InChIKeyAOJRGTJWNOSQAO-UHFFFAOYSA-N
XLogP2.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-6-[(4-methoxybutylamino)methyl]phenol
CID 104646127
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
4-chloro-2-[(2-ethylsulfinylethylamino)methyl]-6-methoxyphenol
CID 104646346
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
4-chloro-2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6-methoxyphenol
CID 104645968
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
CID 105414681
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104646206
4-chloro-2-methoxy-6-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104651121
2,4-diiodo-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 119041326

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol (CID 104646604) is 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol is COc1cc(Cl)cc(CNCCCN2CCCC2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
The InChIKey is AOJRGTJWNOSQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-20-14-10-13(16)9-12(15(14)19)11-17-5-4-8-18-6-2-3-7-18/h9-10,17,19H,2-8,11H2,1H3.
What are the key properties of 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol has a molecular weight of 298.81 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 104646604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).