5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol

C10H14ClNO2 — CID 105426015

IUPAC5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
SMILESCOc1cc(Cl)c(C(C)CN)cc1O
InChIInChI=1S/C10H14ClNO2/c1-6(5-12)7-3-9(13)10(14-2)4-8(7)11/h3-4,6,13H,5,12H2,1-2H3
InChIKeyQPRHWWAPONINMA-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.12
Rot. Bonds3

About 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol

5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol (PubChem CID 105426015) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
PubChem CID105426015
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
SMILESCOc1cc(Cl)c(C(C)CN)cc1O
InChIInChI=1S/C10H14ClNO2/c1-6(5-12)7-3-9(13)10(14-2)4-8(7)11/h3-4,6,13H,5,12H2,1-2H3
InChIKeyQPRHWWAPONINMA-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
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4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
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4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol
CID 105426027
2-(2-chloro-5-hydroxy-4-methoxyphenyl)propanal
CID 105468143
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
CID 57480108
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
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2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
CID 83943624
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
5-chloro-2-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
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6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol?
The IUPAC name of 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol (CID 105426015) is 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol?
The canonical SMILES for 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol is COc1cc(Cl)c(C(C)CN)cc1O.
What is the InChIKey of 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol?
The InChIKey is QPRHWWAPONINMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6(5-12)7-3-9(13)10(14-2)4-8(7)11/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol?
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol has a molecular weight of 215.68 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol is sourced from PubChem (CID 105426015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).