2-(2,3-diaminobutyl)phenol

C10H16N2O — CID 134347246

IUPAC2-(2,3-diaminobutyl)phenol
SMILESCC(N)C(N)Cc1ccccc1O
InChIInChI=1S/C10H16N2O/c1-7(11)9(12)6-8-4-2-3-5-10(8)13/h2-5,7,9,13H,6,11-12H2,1H3
InChIKeyPTYSJMDPRSVCEY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.61
Rot. Bonds3

About 2-(2,3-diaminobutyl)phenol

2-(2,3-diaminobutyl)phenol (PubChem CID 134347246) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2,3-diaminobutyl)phenol.

Molecular Properties

Compound Name2-(2,3-diaminobutyl)phenol
PubChem CID134347246
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(2,3-diaminobutyl)phenol
SMILESCC(N)C(N)Cc1ccccc1O
InChIInChI=1S/C10H16N2O/c1-7(11)9(12)6-8-4-2-3-5-10(8)13/h2-5,7,9,13H,6,11-12H2,1H3
InChIKeyPTYSJMDPRSVCEY-UHFFFAOYSA-N
XLogP0.61
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)phenol;propane
CID 158609255
2-(2-methylsulfonylpropyl)phenol
CID 115028803
3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid
CID 12945708
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512
2-(2-isocyanopropyl)phenol
CID 105431640
2-[(1-aminoethylamino)methyl]phenol
CID 67733562
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
CID 114332302
2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
2-(2-amino-2-cyclopropylethyl)phenol
CID 83827756
2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
CID 154087711
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diaminobutyl)phenol?
The IUPAC name of 2-(2,3-diaminobutyl)phenol (CID 134347246) is 2-(2,3-diaminobutyl)phenol.
What is the SMILES notation for 2-(2,3-diaminobutyl)phenol?
The canonical SMILES for 2-(2,3-diaminobutyl)phenol is CC(N)C(N)Cc1ccccc1O.
What is the InChIKey of 2-(2,3-diaminobutyl)phenol?
The InChIKey is PTYSJMDPRSVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(11)9(12)6-8-4-2-3-5-10(8)13/h2-5,7,9,13H,6,11-12H2,1H3.
What are the key properties of 2-(2,3-diaminobutyl)phenol?
2-(2,3-diaminobutyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diaminobutyl)phenol is sourced from PubChem (CID 134347246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).