2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride

C12H20ClNO2 — CID 6458035

IUPAC2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCOc1ccc(CNC(C)(C)CO)cc1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-12(2,9-14)13-8-10-4-6-11(15-3)7-5-10;/h4-7,13-14H,8-9H2,1-3H3;1H
InChIKeyLPQUOYKLDQZZJU-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.98
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride

2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 6458035) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID6458035
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCOc1ccc(CNC(C)(C)CO)cc1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-12(2,9-14)13-8-10-4-6-11(15-3)7-5-10;/h4-7,13-14H,8-9H2,1-3H3;1H
InChIKeyLPQUOYKLDQZZJU-UHFFFAOYSA-N
XLogP1.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
1-chloro-N-[(4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026790
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 2958853
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzoic acid;hydrochloride
CID 17157155
2-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropan-1-ol
CID 114936372
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-4-methoxyphenol
CID 28725691
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111112630
2-methyl-2-[(4-methylsulfinylphenyl)methylamino]propan-1-ol
CID 71973291
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride (CID 6458035) is 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride is COc1ccc(CNC(C)(C)CO)cc1.Cl.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is LPQUOYKLDQZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-12(2,9-14)13-8-10-4-6-11(15-3)7-5-10;/h4-7,13-14H,8-9H2,1-3H3;1H.
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride?
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 6458035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).