4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol

C15H23ClN2O2 — CID 105414681

IUPAC4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNCC2(N(C)C)CCC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-18(2)15(5-4-6-15)10-17-9-11-7-12(16)8-13(20-3)14(11)19/h7-8,17,19H,4-6,9-10H2,1-3H3
InChIKeyFVIHGXSTJFBGMI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.63
Rot. Bonds6

About 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol

4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol (PubChem CID 105414681) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
PubChem CID105414681
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNCC2(N(C)C)CCC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-18(2)15(5-4-6-15)10-17-9-11-7-12(16)8-13(20-3)14(11)19/h7-8,17,19H,4-6,9-10H2,1-3H3
InChIKeyFVIHGXSTJFBGMI-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

4-chloro-2-methoxy-6-[[(2-methylthiolan-2-yl)methylamino]methyl]phenol
CID 104646480
4-[[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 104646264
4-chloro-2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-6-methoxyphenol
CID 104646031
4-chloro-2-methoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104663962
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104646604
4-chloro-2-[[(2-hydroxy-2-methylbutyl)amino]methyl]-6-methoxyphenol
CID 104646075
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
4-chloro-2-methoxy-6-[(4-methoxybutylamino)methyl]phenol
CID 104646127
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propane-1,2-diol
CID 113438661
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
CID 105415267
4-chloro-2-methoxy-6-[(2-methylbut-3-yn-2-ylamino)methyl]phenol
CID 113438659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol (CID 105414681) is 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol is COc1cc(Cl)cc(CNCC2(N(C)C)CCC2)c1O.
What is the InChIKey of 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol?
The InChIKey is FVIHGXSTJFBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-18(2)15(5-4-6-15)10-17-9-11-7-12(16)8-13(20-3)14(11)19/h7-8,17,19H,4-6,9-10H2,1-3H3.
What are the key properties of 4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol?
4-chloro-2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol 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-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 105414681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).