1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol

C14H23NO — CID 115897828

IUPAC1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1c(C)cccc1C
InChIInChI=1S/C14H23NO/c1-4-6-13(16)9-15-10-14-11(2)7-5-8-12(14)3/h5,7-8,13,15-16H,4,6,9-10H2,1-3H3
InChIKeyRXPHGAJDKWKPSQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds6

About 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol

1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol (PubChem CID 115897828) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
PubChem CID115897828
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1c(C)cccc1C
InChIInChI=1S/C14H23NO/c1-4-6-13(16)9-15-10-14-11(2)7-5-8-12(14)3/h5,7-8,13,15-16H,4,6,9-10H2,1-3H3
InChIKeyRXPHGAJDKWKPSQ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
1-[(2,3,6-trichlorophenyl)methylamino]pentan-2-ol
CID 115623308
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
(2S)-4-[(2,6-dimethylphenyl)methylamino]butan-2-ol
CID 97358416
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-2-ol
CID 111466797
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118765
2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
CID 114480836
3-methyl-2-(propylaminomethyl)phenol
CID 142457021

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol (CID 115897828) is 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol is CCCC(O)CNCc1c(C)cccc1C.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol?
The InChIKey is RXPHGAJDKWKPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-13(16)9-15-10-14-11(2)7-5-8-12(14)3/h5,7-8,13,15-16H,4,6,9-10H2,1-3H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol?
1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 115897828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).