2-amino-4-(3-chloropropyl)-6-methoxyphenol

C10H14ClNO2 — CID 94776729

IUPAC2-amino-4-(3-chloropropyl)-6-methoxyphenol
SMILESCOc1cc(CCCCl)cc(N)c1O
InChIInChI=1S/C10H14ClNO2/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h5-6,13H,2-4,12H2,1H3
InChIKeyPHAWDUSDZSOVLK-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-4-(3-chloropropyl)-6-methoxyphenol

2-amino-4-(3-chloropropyl)-6-methoxyphenol (PubChem CID 94776729) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-amino-4-(3-chloropropyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-amino-4-(3-chloropropyl)-6-methoxyphenol
PubChem CID94776729
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-amino-4-(3-chloropropyl)-6-methoxyphenol
SMILESCOc1cc(CCCCl)cc(N)c1O
InChIInChI=1S/C10H14ClNO2/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h5-6,13H,2-4,12H2,1H3
InChIKeyPHAWDUSDZSOVLK-UHFFFAOYSA-N
XLogP2.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(chloromethyl)-6-methoxyphenol
CID 94776906
2-amino-4-(aminomethyl)-6-methoxyphenol
CID 91902669
4-(3-bromopropyl)-2,6-dimethoxyphenol
CID 53434534
2,6-dimethoxy-4-pentylphenol
CID 22625510
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
CID 82160813
4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
CID 170865187
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070927

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloropropyl)-6-methoxyphenol?
The IUPAC name of 2-amino-4-(3-chloropropyl)-6-methoxyphenol (CID 94776729) is 2-amino-4-(3-chloropropyl)-6-methoxyphenol.
What is the SMILES notation for 2-amino-4-(3-chloropropyl)-6-methoxyphenol?
The canonical SMILES for 2-amino-4-(3-chloropropyl)-6-methoxyphenol is COc1cc(CCCCl)cc(N)c1O.
What is the InChIKey of 2-amino-4-(3-chloropropyl)-6-methoxyphenol?
The InChIKey is PHAWDUSDZSOVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 2-amino-4-(3-chloropropyl)-6-methoxyphenol?
2-amino-4-(3-chloropropyl)-6-methoxyphenol has a molecular weight of 215.68 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloropropyl)-6-methoxyphenol is sourced from PubChem (CID 94776729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).