2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol

C14H23NO — CID 116945330

IUPAC2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
SMILESCCC(CO)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-12(8-16)14(15)13-7-10(3)9(2)6-11(13)4/h6-7,12,14,16H,5,8,15H2,1-4H3
InChIKeyMVRZQNQRALQDBN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds4

About 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol

2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol (PubChem CID 116945330) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
PubChem CID116945330
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
SMILESCCC(CO)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-12(8-16)14(15)13-7-10(3)9(2)6-11(13)4/h6-7,12,14,16H,5,8,15H2,1-4H3
InChIKeyMVRZQNQRALQDBN-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116945325
3-ethyl-1-(2,4,5-trimethylphenyl)pentane-1,2-diol
CID 103459784
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
CID 114246454
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116945494
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol (CID 116945330) is 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol is CCC(CO)C(N)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol?
The InChIKey is MVRZQNQRALQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(8-16)14(15)13-7-10(3)9(2)6-11(13)4/h6-7,12,14,16H,5,8,15H2,1-4H3.
What are the key properties of 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol?
2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 116945330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).