1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol

C14H23NO — CID 111118848

IUPAC1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-4-5-14(16)10-15-9-13-7-6-11(2)8-12(13)3/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyLWMAQFHUKDJQMG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds6

About 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol

1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol (PubChem CID 111118848) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
PubChem CID111118848
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-4-5-14(16)10-15-9-13-7-6-11(2)8-12(13)3/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyLWMAQFHUKDJQMG-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

2-[(2-hydroxypentylamino)methyl]-4-methylphenol
CID 111122866
1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 115121335
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
CID 114480836
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535
(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
CID 115897828
5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid
CID 115122672
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
1-[(2-bromo-5-chlorophenyl)methylamino]pentan-2-ol
CID 115660111
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol (CID 111118848) is 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol is CCCC(O)CNCc1ccc(C)cc1C.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
The InChIKey is LWMAQFHUKDJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-14(16)10-15-9-13-7-6-11(2)8-12(13)3/h6-8,14-16H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
1-[(2,4-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-[(2,4-dimethylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).