5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol

C16H27NO — CID 111467465

IUPAC5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol
SMILESCc1ccc(CNCCCC(C)(C)CO)c(C)c1
InChIInChI=1S/C16H27NO/c1-13-6-7-15(14(2)10-13)11-17-9-5-8-16(3,4)12-18/h6-7,10,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyQLBKYGGRKGGKSO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds7

About 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol

5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol (PubChem CID 111467465) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol
PubChem CID111467465
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol
SMILESCc1ccc(CNCCCC(C)(C)CO)c(C)c1
InChIInChI=1S/C16H27NO/c1-13-6-7-15(14(2)10-13)11-17-9-5-8-16(3,4)12-18/h6-7,10,17-18H,5,8-9,11-12H2,1-4H3
InChIKeyQLBKYGGRKGGKSO-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
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

5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
4-[(2,4-dimethylphenyl)methylamino]butanenitrile
CID 115231662
methyl 4-[(2,4-dimethylphenyl)methylamino]butanoate
CID 54920507
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 28725701
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
3-[(2,4-dimethylphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824927
3-methyl-4-[(4,4,4-trifluorobutylamino)methyl]benzonitrile
CID 114480624
2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 111467443

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol (CID 111467465) is 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol is Cc1ccc(CNCCCC(C)(C)CO)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol?
The InChIKey is QLBKYGGRKGGKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-6-7-15(14(2)10-13)11-17-9-5-8-16(3,4)12-18/h6-7,10,17-18H,5,8-9,11-12H2,1-4H3.
What are the key properties of 5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol?
5-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylpentan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.19, 7 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]-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 111467465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).