1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride

C11H18ClNO — CID 17293836

IUPAC1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
SMILESCc1ccccc1CNCC(C)O.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9-5-3-4-6-11(9)8-12-7-10(2)13;/h3-6,10,12-13H,7-8H2,1-2H3;1H
InChIKeyXRMJBCQCNYNEDR-UHFFFAOYSA-N
MW215.72 g/mol
LogP1.89
Rot. Bonds4

About 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride

1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride (PubChem CID 17293836) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
PubChem CID17293836
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
SMILESCc1ccccc1CNCC(C)O.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9-5-3-4-6-11(9)8-12-7-10(2)13;/h3-6,10,12-13H,7-8H2,1-2H3;1H
InChIKeyXRMJBCQCNYNEDR-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
CID 111118989
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 63981721
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
2-chloro-4-methyl-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107155964
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
(2S)-1-(benzylamino)propan-2-ol
CID 964914
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride (CID 17293836) is 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride is Cc1ccccc1CNCC(C)O.Cl.
What is the InChIKey of 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride?
The InChIKey is XRMJBCQCNYNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-9-5-3-4-6-11(9)8-12-7-10(2)13;/h3-6,10,12-13H,7-8H2,1-2H3;1H.
What are the key properties of 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride?
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 17293836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).