4-(3-aminobutyl)-2-methoxyphenol chloride

C11H17ClNO2- — CID 45108613

IUPAC4-(3-aminobutyl)-2-methoxyphenol chloride
SMILESCOc1cc(CCC(C)N)ccc1O.[Cl-]
InChIInChI=1S/C11H17NO2.ClH/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2;/h5-8,13H,3-4,12H2,1-2H3;1H/p-1
InChIKeyVHQCTGQRGPHVHF-UHFFFAOYSA-M
MW230.72 g/mol
LogP-1.32
Rot. Bonds4

About 4-(3-aminobutyl)-2-methoxyphenol chloride

4-(3-aminobutyl)-2-methoxyphenol chloride (PubChem CID 45108613) has the molecular formula C11H17ClNO2- and a molecular weight of 230.72 g/mol. Its IUPAC name is 4-(3-aminobutyl)-2-methoxyphenol chloride.

Molecular Properties

Compound Name4-(3-aminobutyl)-2-methoxyphenol chloride
PubChem CID45108613
Molecular FormulaC11H17ClNO2-
Molecular Weight230.72 g/mol
Exact Mass230.10
IUPAC Name4-(3-aminobutyl)-2-methoxyphenol chloride
SMILESCOc1cc(CCC(C)N)ccc1O.[Cl-]
InChIInChI=1S/C11H17NO2.ClH/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2;/h5-8,13H,3-4,12H2,1-2H3;1H/p-1
InChIKeyVHQCTGQRGPHVHF-UHFFFAOYSA-M
XLogP-1.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminobutyl)-2-methoxyphenol chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
4-[(3R)-3-aminobutyl]-2-iodophenol
CID 131145873
ethane;2-methoxy-4-propylphenol
CID 144852330

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutyl)-2-methoxyphenol chloride?
The IUPAC name of 4-(3-aminobutyl)-2-methoxyphenol chloride (CID 45108613) is 4-(3-aminobutyl)-2-methoxyphenol chloride.
What is the SMILES notation for 4-(3-aminobutyl)-2-methoxyphenol chloride?
The canonical SMILES for 4-(3-aminobutyl)-2-methoxyphenol chloride is COc1cc(CCC(C)N)ccc1O.[Cl-].
What is the InChIKey of 4-(3-aminobutyl)-2-methoxyphenol chloride?
The InChIKey is VHQCTGQRGPHVHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17NO2.ClH/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2;/h5-8,13H,3-4,12H2,1-2H3;1H/p-1.
What are the key properties of 4-(3-aminobutyl)-2-methoxyphenol chloride?
4-(3-aminobutyl)-2-methoxyphenol chloride has a molecular weight of 230.72 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutyl)-2-methoxyphenol chloride is sourced from PubChem (CID 45108613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).