3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H18ClNO3 — CID 65069500

IUPAC3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H18ClNO3/c16-11-5-8(1-4-12(11)18)7-17-14-10-3-2-9(6-10)13(14)15(19)20/h1,4-5,9-10,13-14,17-18H,2-3,6-7H2,(H,19,20)
InChIKeyWSXASFFPSXFYHA-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.63
Rot. Bonds4

About 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 65069500) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID65069500
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H18ClNO3/c16-11-5-8(1-4-12(11)18)7-17-14-10-3-2-9(6-10)13(14)15(19)20/h1,4-5,9-10,13-14,17-18H,2-3,6-7H2,(H,19,20)
InChIKeyWSXASFFPSXFYHA-UHFFFAOYSA-N
XLogP2.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

3-[(2-chloro-6-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 114322222
3-[(5-bromo-3-pyridinyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 113454684
ethyl (4R)-3-[(3-chloro-4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 69086292
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
CID 94428869
2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
CID 62396541
3-[(2-hydroxy-3-methoxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069892
3-chloro-4-hydroxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767220
3-[(1-methylpyrazol-3-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 82868704
3-[(1,5-dimethylpyrazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79596652
methyl (1S,4R)-3-[(4-fluoro-3-methylphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 67683763
N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095730

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 65069500) is 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1NCc1ccc(O)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is WSXASFFPSXFYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-11-5-8(1-4-12(11)18)7-17-14-10-3-2-9(6-10)13(14)15(19)20/h1,4-5,9-10,13-14,17-18H,2-3,6-7H2,(H,19,20).
What are the key properties of 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 65069500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).