2,6-bis(2-aminobutyl)-4-chlorophenol

C14H23ClN2O — CID 170888954

IUPAC2,6-bis(2-aminobutyl)-4-chlorophenol
SMILESCCC(N)Cc1cc(Cl)cc(CC(N)CC)c1O
InChIInChI=1S/C14H23ClN2O/c1-3-12(16)7-9-5-11(15)6-10(14(9)18)8-13(17)4-2/h5-6,12-13,18H,3-4,7-8,16-17H2,1-2H3
InChIKeyASVQKPABHSUXRC-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.61
Rot. Bonds6

About 2,6-bis(2-aminobutyl)-4-chlorophenol

2,6-bis(2-aminobutyl)-4-chlorophenol (PubChem CID 170888954) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2,6-bis(2-aminobutyl)-4-chlorophenol.

Molecular Properties

Compound Name2,6-bis(2-aminobutyl)-4-chlorophenol
PubChem CID170888954
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2,6-bis(2-aminobutyl)-4-chlorophenol
SMILESCCC(N)Cc1cc(Cl)cc(CC(N)CC)c1O
InChIInChI=1S/C14H23ClN2O/c1-3-12(16)7-9-5-11(15)6-10(14(9)18)8-13(17)4-2/h5-6,12-13,18H,3-4,7-8,16-17H2,1-2H3
InChIKeyASVQKPABHSUXRC-UHFFFAOYSA-N
XLogP2.61
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
CID 170889153
2-(2-aminobutyl)-4,6-diiodophenol
CID 131060638
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
1-(4-chloro-2,6-difluorophenyl)butan-2-amine
CID 130848043
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114865883
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
4-amino-5-(5-chloro-2-hydroxy-3-methoxyphenyl)pentanoic acid
CID 113438941
1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667098
4-[2-(2-aminobutyl)-4,6-dichlorophenoxy]butanenitrile
CID 54929145

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-aminobutyl)-4-chlorophenol?
The IUPAC name of 2,6-bis(2-aminobutyl)-4-chlorophenol (CID 170888954) is 2,6-bis(2-aminobutyl)-4-chlorophenol.
What is the SMILES notation for 2,6-bis(2-aminobutyl)-4-chlorophenol?
The canonical SMILES for 2,6-bis(2-aminobutyl)-4-chlorophenol is CCC(N)Cc1cc(Cl)cc(CC(N)CC)c1O.
What is the InChIKey of 2,6-bis(2-aminobutyl)-4-chlorophenol?
The InChIKey is ASVQKPABHSUXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-3-12(16)7-9-5-11(15)6-10(14(9)18)8-13(17)4-2/h5-6,12-13,18H,3-4,7-8,16-17H2,1-2H3.
What are the key properties of 2,6-bis(2-aminobutyl)-4-chlorophenol?
2,6-bis(2-aminobutyl)-4-chlorophenol has a molecular weight of 270.80 g/mol, XLogP of 2.61, 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-chlorophenol is sourced from PubChem (CID 170888954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).