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

C14H23NO — CID 111118989

IUPAC3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
SMILESCCC(C)C(O)CNCc1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-11(2)14(16)10-15-9-13-8-6-5-7-12(13)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyBZNCQGLJSQKWEZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.49
Rot. Bonds6

About 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol

3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol (PubChem CID 111118989) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
PubChem CID111118989
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
SMILESCCC(C)C(O)CNCc1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-11(2)14(16)10-15-9-13-8-6-5-7-12(13)3/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyBZNCQGLJSQKWEZ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 115595839
tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
CID 142664864
2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 63981721
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837
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
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol (CID 111118989) is 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol is CCC(C)C(O)CNCc1ccccc1C.
What is the InChIKey of 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol?
The InChIKey is BZNCQGLJSQKWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11(2)14(16)10-15-9-13-8-6-5-7-12(13)3/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol?
3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).