2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol

C11H16ClNO2 — CID 117331674

IUPAC2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol
SMILESCOc1ccc(Cl)c(C(C)CCN)c1O
InChIInChI=1S/C11H16ClNO2/c1-7(5-6-13)10-8(12)3-4-9(15-2)11(10)14/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyNPWDNFBPENXCJI-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol

2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol (PubChem CID 117331674) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol
PubChem CID117331674
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol
SMILESCOc1ccc(Cl)c(C(C)CCN)c1O
InChIInChI=1S/C11H16ClNO2/c1-7(5-6-13)10-8(12)3-4-9(15-2)11(10)14/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyNPWDNFBPENXCJI-UHFFFAOYSA-N
XLogP2.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol;hydrochloride
CID 171254250
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol
CID 171254249
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
CID 171257502
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
CID 117471634
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
3-(3,6-dimethoxy-2-methylsulfonylphenyl)butan-1-amine
CID 117463938
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol (CID 117331674) is 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol is COc1ccc(Cl)c(C(C)CCN)c1O.
What is the InChIKey of 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol?
The InChIKey is NPWDNFBPENXCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7(5-6-13)10-8(12)3-4-9(15-2)11(10)14/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol?
2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol has a molecular weight of 229.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol is sourced from PubChem (CID 117331674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).