2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride

C17H23ClN2O — CID 70566550

IUPAC2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride
SMILESCC(C)(C)c1cc(CN)c(O)c(Cc2cccnc2)c1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-17(2,3)15-8-13(16(20)14(9-15)10-18)7-12-5-4-6-19-11-12;/h4-6,8-9,11,20H,7,10,18H2,1-3H3;1H
InChIKeySQZOPCRSYWTQOA-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.56
Rot. Bonds3

About 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride

2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride (PubChem CID 70566550) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride
PubChem CID70566550
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride
SMILESCC(C)(C)c1cc(CN)c(O)c(Cc2cccnc2)c1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-17(2,3)15-8-13(16(20)14(9-15)10-18)7-12-5-4-6-19-11-12;/h4-6,8-9,11,20H,7,10,18H2,1-3H3;1H
InChIKeySQZOPCRSYWTQOA-UHFFFAOYSA-N
XLogP3.56
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.56
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

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
2,6-bis[(benzylamino)methyl]-4-tert-butylphenol;dihydrochloride
CID 131884560

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride (CID 70566550) is 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride is CC(C)(C)c1cc(CN)c(O)c(Cc2cccnc2)c1.Cl.
What is the InChIKey of 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride?
The InChIKey is SQZOPCRSYWTQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-17(2,3)15-8-13(16(20)14(9-15)10-18)7-12-5-4-6-19-11-12;/h4-6,8-9,11,20H,7,10,18H2,1-3H3;1H.
What are the key properties of 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride?
2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-tert-butyl-6-(pyridin-3-ylmethyl)phenol;hydrochloride is sourced from PubChem (CID 70566550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).