2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol

C13H20ClNO — CID 12868880

IUPAC2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
SMILESCC(C)(C)c1cc(Cl)c(O)c(CCCN)c1
InChIInChI=1S/C13H20ClNO/c1-13(2,3)10-7-9(5-4-6-15)12(16)11(14)8-10/h7-8,16H,4-6,15H2,1-3H3
InChIKeySEOIISUSZSRZQL-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.23
Rot. Bonds3

About 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol

2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol (PubChem CID 12868880) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
PubChem CID12868880
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
SMILESCC(C)(C)c1cc(Cl)c(O)c(CCCN)c1
InChIInChI=1S/C13H20ClNO/c1-13(2,3)10-7-9(5-4-6-15)12(16)11(14)8-10/h7-8,16H,4-6,15H2,1-3H3
InChIKeySEOIISUSZSRZQL-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)acetic acid
CID 83899432
(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylsulfamic acid
CID 21314642
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
2-[(4-aminopyridin-1-ium-1-yl)methyl]-4-tert-butyl-6-chlorophenol chloride
CID 12761805
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065
3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386940
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol?
The IUPAC name of 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol (CID 12868880) is 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol?
The canonical SMILES for 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol is CC(C)(C)c1cc(Cl)c(O)c(CCCN)c1.
What is the InChIKey of 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol?
The InChIKey is SEOIISUSZSRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,3)10-7-9(5-4-6-15)12(16)11(14)8-10/h7-8,16H,4-6,15H2,1-3H3.
What are the key properties of 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol?
2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol has a molecular weight of 241.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol is sourced from PubChem (CID 12868880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).