2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol

C15H25NO — CID 114078248

IUPAC2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol
SMILESCc1cc(C)c(C(O)C(N)CC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-9(2)6-14(16)15(17)13-8-11(4)10(3)7-12(13)5/h7-9,14-15,17H,6,16H2,1-5H3
InChIKeyNVRGYPARTJGSOZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds4

About 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol

2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol (PubChem CID 114078248) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol
PubChem CID114078248
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol
SMILESCc1cc(C)c(C(O)C(N)CC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-9(2)6-14(16)15(17)13-8-11(4)10(3)7-12(13)5/h7-9,14-15,17H,6,16H2,1-5H3
InChIKeyNVRGYPARTJGSOZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83088538
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
3-ethyl-1-(2,4,5-trimethylphenyl)pentane-1,2-diol
CID 103459784
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 63630961
2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
CID 83931688

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol?
The IUPAC name of 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol (CID 114078248) is 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol.
What is the SMILES notation for 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol?
The canonical SMILES for 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol is Cc1cc(C)c(C(O)C(N)CC(C)C)cc1C.
What is the InChIKey of 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol?
The InChIKey is NVRGYPARTJGSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-9(2)6-14(16)15(17)13-8-11(4)10(3)7-12(13)5/h7-9,14-15,17H,6,16H2,1-5H3.
What are the key properties of 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol?
2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(2,4,5-trimethylphenyl)pentan-1-ol is sourced from PubChem (CID 114078248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).