2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol

C14H23NO — CID 111432021

IUPAC2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
SMILESCCCC(C)(CO)NCc1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-9-14(3,11-16)15-10-13-8-6-5-7-12(13)2/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyJPSYQMCCKSTRHS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.64
Rot. Bonds6

About 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol

2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol (PubChem CID 111432021) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
PubChem CID111432021
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
SMILESCCCC(C)(CO)NCc1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-9-14(3,11-16)15-10-13-8-6-5-7-12(13)2/h5-8,15-16H,4,9-11H2,1-3H3
InChIKeyJPSYQMCCKSTRHS-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 111916693
2-(1,3-benzodioxol-4-ylmethylamino)-2-methylpentan-1-ol
CID 111432902
2-methyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 66025238
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
CID 109482003
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
2-[(2-methylphenyl)methyl]-2-propylpropane-1,3-diol
CID 79450994
2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
CID 18980609
2-[(3-methylpentan-3-ylamino)methyl]phenol
CID 115630759
2-anilino-2-methylpentan-1-ol
CID 61046243
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115710888
2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pentan-1-ol
CID 166205040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol (CID 111432021) is 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol is CCCC(C)(CO)NCc1ccccc1C.
What is the InChIKey of 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol?
The InChIKey is JPSYQMCCKSTRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-9-14(3,11-16)15-10-13-8-6-5-7-12(13)2/h5-8,15-16H,4,9-11H2,1-3H3.
What are the key properties of 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol?
2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 111432021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).