5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol

C14H23NO — CID 107267917

IUPAC5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
SMILESCc1ccc(CNCCCC(C)O)c(C)c1
InChIInChI=1S/C14H23NO/c1-11-6-7-14(12(2)9-11)10-15-8-4-5-13(3)16/h6-7,9,13,15-16H,4-5,8,10H2,1-3H3
InChIKeyOTWFXYBCJCTFKZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds6

About 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol

5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol (PubChem CID 107267917) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
PubChem CID107267917
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
SMILESCc1ccc(CNCCCC(C)O)c(C)c1
InChIInChI=1S/C14H23NO/c1-11-6-7-14(12(2)9-11)10-15-8-4-5-13(3)16/h6-7,9,13,15-16H,4-5,8,10H2,1-3H3
InChIKeyOTWFXYBCJCTFKZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
4-[(2,4-dimethylphenyl)methylamino]butanenitrile
CID 115231662
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
4-[(4-hydroxypentylamino)methyl]benzene-1,3-diol
CID 107267932
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol
CID 111467465
methyl 4-[(2,4-dimethylphenyl)methylamino]butanoate
CID 54920507
N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
CID 63462083
1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol (CID 107267917) is 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol is Cc1ccc(CNCCCC(C)O)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
The InChIKey is OTWFXYBCJCTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-6-7-14(12(2)9-11)10-15-8-4-5-13(3)16/h6-7,9,13,15-16H,4-5,8,10H2,1-3H3.
What are the key properties of 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol?
5-[(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 5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 107267917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).