2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride

C10H15Cl2NO — CID 45259776

IUPAC2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride
SMILESCC(C)c1cc(Cl)c(O)c(CN)c1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-6(2)7-3-8(5-12)10(13)9(11)4-7;/h3-4,6,13H,5,12H2,1-2H3;1H
InChIKeyOAXLPPMGRQKRQS-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.05
Rot. Bonds2

About 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride

2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride (PubChem CID 45259776) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride
PubChem CID45259776
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride
SMILESCC(C)c1cc(Cl)c(O)c(CN)c1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-6(2)7-3-8(5-12)10(13)9(11)4-7;/h3-4,6,13H,5,12H2,1-2H3;1H
InChIKeyOAXLPPMGRQKRQS-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-6-[(cyclohexylamino)methyl]-4-phenylphenol;hydrochloride
CID 44530967
2,4-Xylenol, 6-chloro-alpha(sup 4)-(dimethylamino)-
CID 3068125
2-(Aminomethyl)-4-(tert-butyl)-6-chlorophenol hydrochloride
CID 12652143
2-(Aminomethyl)-4,6-dichlorophenol
CID 12652211
2-Aminomethyl-4-(1-methylethyl)-6-iodophenol hydrochloride
CID 20326863
4-(2-Aminoethyl)-2-chlorophenol
CID 23071555
2-(Aminomethyl)-3,6-dichloro-4-methylphenol;hydrochloride
CID 45259747
2-(Aminomethyl)-4,6-dichloro-3-methylphenol;hydrochloride
CID 45259773
2-(Aminomethyl)-6-chloro-3,4,5-trimethylphenol;hydrochloride
CID 45259793
2-(Aminomethyl)-6-chloro-3,4-dimethylphenol;hydrochloride
CID 45259807
2-(Aminomethyl)-6-chloro-4-fluorophenol;hydrochloride
CID 45259817
2-(Aminomethyl)-6-chloro-4-phenylphenol;hydrochloride
CID 45259831

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride (CID 45259776) is 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride is CC(C)c1cc(Cl)c(O)c(CN)c1.Cl.
What is the InChIKey of 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride?
The InChIKey is OAXLPPMGRQKRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-6(2)7-3-8(5-12)10(13)9(11)4-7;/h3-4,6,13H,5,12H2,1-2H3;1H.
What are the key properties of 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride?
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride is sourced from PubChem (CID 45259776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).