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

C15H23ClN2O2 — CID 104663962

IUPAC4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCC(C)N2CCCC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-11(18-5-3-4-6-18)9-17-10-12-7-13(16)8-14(20-2)15(12)19/h7-8,11,17,19H,3-6,9-10H2,1-2H3
InChIKeyVCCYDIRPDJZAKV-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.63
Rot. Bonds6

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

4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol (PubChem CID 104663962) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
PubChem CID104663962
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCC(C)N2CCCC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-11(18-5-3-4-6-18)9-17-10-12-7-13(16)8-14(20-2)15(12)19/h7-8,11,17,19H,3-6,9-10H2,1-2H3
InChIKeyVCCYDIRPDJZAKV-UHFFFAOYSA-N
XLogP2.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916433
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104646604
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propane-1,2-diol
CID 113438661
4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
CID 105414681
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916438
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 60958068
4-chloro-2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6-methoxyphenol
CID 104645968
N-[(4-chloro-2-fluorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 114842146
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
4-chloro-2-[[(2-hydroxy-2-methylbutyl)amino]methyl]-6-methoxyphenol
CID 104646075
4-chloro-2-methoxy-6-[(4-methoxybutylamino)methyl]phenol
CID 104646127
4-chloro-2-[(furan-3-ylmethylamino)methyl]-6-methoxyphenol
CID 113436734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol (CID 104663962) is 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol is COc1cc(Cl)cc(CNCC(C)N2CCCC2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
The InChIKey is VCCYDIRPDJZAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-11(18-5-3-4-6-18)9-17-10-12-7-13(16)8-14(20-2)15(12)19/h7-8,11,17,19H,3-6,9-10H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol?
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol has a molecular weight of 298.81 g/mol, XLogP of 2.63, 6 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-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 104663962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).