2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride

C18H34Cl2N2O — CID 170889153

IUPAC2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
SMILESCCC(N)Cc1cc(C(C)(C)C)cc(CC(N)CC)c1O.Cl.Cl
InChIInChI=1S/C18H32N2O.2ClH/c1-6-15(19)10-12-8-14(18(3,4)5)9-13(17(12)21)11-16(20)7-2;;/h8-9,15-16,21H,6-7,10-11,19-20H2,1-5H3;2*1H
InChIKeyGYWBRZDEADXOSP-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.09
Rot. Bonds6

About 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride

2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride (PubChem CID 170889153) has the molecular formula C18H34Cl2N2O and a molecular weight of 365.39 g/mol. Its IUPAC name is 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride.

Molecular Properties

Compound Name2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
PubChem CID170889153
Molecular FormulaC18H34Cl2N2O
Molecular Weight365.39 g/mol
Exact Mass364.20
IUPAC Name2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
SMILESCCC(N)Cc1cc(C(C)(C)C)cc(CC(N)CC)c1O.Cl.Cl
InChIInChI=1S/C18H32N2O.2ClH/c1-6-15(19)10-12-8-14(18(3,4)5)9-13(17(12)21)11-16(20)7-2;;/h8-9,15-16,21H,6-7,10-11,19-20H2,1-5H3;2*1H
InChIKeyGYWBRZDEADXOSP-UHFFFAOYSA-N
XLogP4.09
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride?
The IUPAC name of 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride (CID 170889153) is 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride.
What is the SMILES notation for 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride?
The canonical SMILES for 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride is CCC(N)Cc1cc(C(C)(C)C)cc(CC(N)CC)c1O.Cl.Cl.
What is the InChIKey of 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride?
The InChIKey is GYWBRZDEADXOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O.2ClH/c1-6-15(19)10-12-8-14(18(3,4)5)9-13(17(12)21)11-16(20)7-2;;/h8-9,15-16,21H,6-7,10-11,19-20H2,1-5H3;2*1H.
What are the key properties of 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride?
2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride has a molecular weight of 365.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride is sourced from PubChem (CID 170889153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).