4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol

C12H20N2O — CID 83922958

IUPAC4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)C(CN)CN)ccc1O
InChIInChI=1S/C12H20N2O/c1-8-5-10(3-4-12(8)15)9(2)11(6-13)7-14/h3-5,9,11,15H,6-7,13-14H2,1-2H3
InChIKeySDGFUYUTKYVIOJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.34
Rot. Bonds4

About 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol

4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol (PubChem CID 83922958) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol
PubChem CID83922958
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)C(CN)CN)ccc1O
InChIInChI=1S/C12H20N2O/c1-8-5-10(3-4-12(8)15)9(2)11(6-13)7-14/h3-5,9,11,15H,6-7,13-14H2,1-2H3
InChIKeySDGFUYUTKYVIOJ-UHFFFAOYSA-N
XLogP1.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol
CID 83922954
3-(4-hydroxy-3-methylphenyl)-2-methylbutanoic acid
CID 20647414
1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
CID 131882584
4-[(1S)-1-amino-2-methylbutyl]-2-methylphenol;hydrochloride
CID 171232746
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride
CID 67242419
4-(4-chlorobutan-2-yl)-2-methylphenol
CID 83922938

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol?
The IUPAC name of 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol (CID 83922958) is 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol is Cc1cc(C(C)C(CN)CN)ccc1O.
What is the InChIKey of 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol?
The InChIKey is SDGFUYUTKYVIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-5-10(3-4-12(8)15)9(2)11(6-13)7-14/h3-5,9,11,15H,6-7,13-14H2,1-2H3.
What are the key properties of 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol?
4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol has a molecular weight of 208.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol is sourced from PubChem (CID 83922958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).