4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride

C15H17Cl2NO2 — CID 25163886

IUPAC4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride
SMILESCOc1ccc(CNCc2cc(Cl)ccc2O)cc1.Cl
InChIInChI=1S/C15H16ClNO2.ClH/c1-19-14-5-2-11(3-6-14)9-17-10-12-8-13(16)4-7-15(12)18;/h2-8,17-18H,9-10H2,1H3;1H
InChIKeyCGJJWEZFWKVLKQ-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride

4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride (PubChem CID 25163886) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride
PubChem CID25163886
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride
SMILESCOc1ccc(CNCc2cc(Cl)ccc2O)cc1.Cl
InChIInChI=1S/C15H16ClNO2.ClH/c1-19-14-5-2-11(3-6-14)9-17-10-12-8-13(16)4-7-15(12)18;/h2-8,17-18H,9-10H2,1H3;1H
InChIKeyCGJJWEZFWKVLKQ-UHFFFAOYSA-N
XLogP3.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.77
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

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
3-[[(4-methoxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 61318048
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724078
4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
CID 61003043
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 29224259

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride?
The IUPAC name of 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride (CID 25163886) is 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride.
What is the SMILES notation for 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride?
The canonical SMILES for 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride is COc1ccc(CNCc2cc(Cl)ccc2O)cc1.Cl.
What is the InChIKey of 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride?
The InChIKey is CGJJWEZFWKVLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2.ClH/c1-19-14-5-2-11(3-6-14)9-17-10-12-8-13(16)4-7-15(12)18;/h2-8,17-18H,9-10H2,1H3;1H.
What are the key properties of 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride?
4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride has a molecular weight of 314.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride is sourced from PubChem (CID 25163886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).